Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3135045

CON=C(C(=O)Cl)c1csc(N)n1.Cl

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA known ✓ P10253 1/20 0.47
PTGS2 known ✓ P35354 1/20 0.44
HTR2C known ✓ P28335 1/20 0.41
PPARG known ✓ P37231 1/20 0.39
PTGS1 known ✓ P23219 1/20 0.39
ESR1 known ✓ P03372 1/20 0.37
DRD2 known ✓ P14416 1/20 0.37
ADRA2B known ✓ P18089 1/20 0.37
HRH3 known ✓ Q9Y5N1 1/20 0.37
MAPT P10636 6/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 3/20 0.47
NR1I2 O75469 4/20 0.44
PGR P06401 1/20 0.44
ITGB1 P05556 2/20 0.43
ITGA4 P13612 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL3135041 1.00 MAPT (0.49) MAPTALDH1A1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL5340165 1.00 MAPT (0.49) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL7027843 0.98 MAPT (0.48) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL8895090 0.98 MAPT (0.48) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL8872097 0.98 MAPT (0.48) MAPTALDH1A1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL7020610 0.87 MAPT (0.58) MAPTALDH1A1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL3135048 0.87 MAPT (0.58) MAPTALDH1A1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL6133351 0.86 MAPT (0.47) MAPTALDH1A1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL1405847 0.86 MAPT (0.47) MAPTALDH1A1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL1405849 0.86 MAPT (0.47) MAPTALDH1A1MEN1KMT2ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101935325-B Preparation method of cefepime hydrochloride HAINAN XINZHONGZHENG PHARMACEUTICAL CO LTD 2012-02-08 CN claimed
CN-101935325-A Preparation method of cefepime hydrochloride HAINAN XINZHONGZHENG PHARMACEUTICAL CO LTD 2011-01-05 CN claimed
EP-0533047-B1 Preparation of a cephalosporin antibiotic using the synisomer of a thiazolyl intermediate BRISTOL MYERS SQUIBB CO (US) 2003-05-07 EP claimed
EP-0531981-B1 Process for the preparation of a cephalosporin antibiotic BRISTOL MYERS SQUIBB CO (US) 2001-11-21 EP claimed
US-5698703-A ANTIBIOTIC CHEMICAL INTERMEDIATE; 2-(2-AMINOTHIAZOL-4-Y)-2-METHOXYIMINO ACETYL CHLORIDE HYDROCHLORIDE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-12-16 US claimed
US-5594130-A N-ACYLATION OF 7-AMINO-3-((1-METHYL-1-PYRROLIDINIO)-METHYL) CEPH-3-EM-4-CARBOXYLATE WITH SYN-2-(2-AMINOTHIAZOL-4-YL)-2-METHOXYIMINO ACETYL CHLORIDE HYDROCHLORIDE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-01-14 US claimed
US-5594129-A REACTING SILYLATED DERIVATIVE OF 7-AMINO-3-((1-METHYL-1-PYRROLIDINIO)METHYL)CEPH-3-EM-4-CARBOX YLATE WITH SYN ISOMER OF 2-(2-AMINOTHIAZOL-4-YL)-2-METHOXYIMINO ACETYL CHLORIDE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-01-14 US claimed
EP-0533047-A1 Preparation of a cephalosporin antibiotic using the synisomer of a thiazolyl intermediate Bristol-Myers Squibb Company (US) 1993-03-24 EP claimed
EP-0531981-A1 Process for the preparation of a cephalosporin antibiotic Bristol-Myers Squibb Company (US) 1993-03-17 EP claimed
JP-6192271-A None JP disclosed
JP-5194531-A None JP disclosed
JP-5194532-A None JP disclosed
CN-103304580-B Cefepime dihydrochloride compound as well as preparation method and medicine composition thereof SICHUAN HUIDA PHARMACEUTICAL CO LTD 2014-07-09 CN disclosed
CN-103304580-A Cefepime dihydrochloride compound as well as preparation method and medicine composition thereof SICHUAN HUIDA PHARMACEUTICAL CO LTD 2013-09-18 CN disclosed
US-5215982-A Antibiotics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-01 US disclosed
EP-0533047-A1 Preparation of a cephalosporin antibiotic using the synisomer of a thiazolyl intermediate Bristol-Myers Squibb Company (US) 1993-03-24 EP disclosed
EP-0533047-A1 Preparation of a cephalosporin antibiotic using the synisomer of a thiazolyl intermediate Bristol-Myers Squibb Company (US) 1993-03-24 EP disclosed
EP-0531981-A1 Process for the preparation of a cephalosporin antibiotic Bristol-Myers Squibb Company (US) 1993-03-17 EP disclosed
EP-0531981-A1 Process for the preparation of a cephalosporin antibiotic Bristol-Myers Squibb Company (US) 1993-03-17 EP disclosed
EP-0427248-A2 New cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-05-15 EP disclosed