Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11049981

Cl.Cl.Cl.NCCCO/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnc(CN)s3)CS[C@H]12)c1csc(N)n1

nearest known ligand 0.63

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
▸ HTR2C known ✓ P28335 1/20 0.59
▸ PPARG known ✓ P37231 2/20 0.59
▸ NR1I2 O75469 4/20 0.62
▸ PGR P06401 2/20 0.62
▸ SLC22A6 Q4U2R8 2/20 0.59
▸ SLC22A8 Q8TCC7 2/20 0.59
▸ SLC22A11 Q9NSA0 2/20 0.59
▸ DAO P14920 1/20 0.59
▸ SNCA P37840 1/20 0.59
▸ CYP2J2 P51589 1/20 0.59
▸ ABCC4 O15439 3/20 0.58
▸ MAPT P10636 5/20 0.57
▸ ALB P02768 1/20 0.57
▸ TDP1 Q9NUW8 7/20 0.56
▸ APEX1 P27695 4/20 0.56
▸ APAF1 O14727 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ PLCG1 P19174 1/20 0.56

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
SCHEMBL11046680 1.00 NR1I2 (0.62) NR1I2PGRHTR2CPPARGSLC22A6
Hydrochloric Acid SCHEMBL11049988 1.00 NR1I2 (0.62) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL11046665 1.00 NR1I2 (0.62) NR1I2PGRHTR2CPPARGSLC22A6
Hydrochloric Acid SCHEMBL11044682 0.96 NR1I2 (0.63) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL11049917 0.96 NR1I2 (0.63) NR1I2PGRHTR2CPPARGSLC22A6
Hydrochloric Acid SCHEMBL11044672 0.96 NR1I2 (0.63) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL11049912 0.96 NR1I2 (0.63) NR1I2PGRHTR2CPPARGSLC22A6
Hydrochloric Acid SCHEMBL11461005 0.92 NR1I2 (0.73) NR1I2PGRHTR2CPPARGSLC22A6
Hydrochloric Acid SCHEMBL11461006 0.92 NR1I2 (0.73) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL11462677 0.91 NR1I2 (0.74) NR1I2PGRHTR2CPPARGSLC22A6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4487767-A BACTERIOSTATS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-12-11 — — US disclosed
US-4366153-A CEPHALOSPORINS; ANTIBIOTICS; BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-12-28 — — US disclosed
US-4341775-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-07-27 — — US disclosed
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