Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9208080

C=CCOC(=O)C1=C(C)NC(CN=C(N)S)=C(C(=O)OCC)C1C1CCC1.Cl

nearest known ligand 0.39

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
CA2 known ✓ P00918 3/20 0.36
GAA known ✓ P10253 1/20 0.35
ACHE known ✓ P22303 1/20 0.33
CACNA1D known ✓ Q01668 1/20 0.33
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 5/20 0.39
TP53 P04637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
MAPT P10636 5/20 0.37
POLB P06746 1/20 0.37
CA1 P00915 3/20 0.36
LMNA P02545 3/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALOX15 P16050 1/20 0.34

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 SCHEMBL9205123 0.98 KDM4E (0.39) KDM4EALDH1A1TP53HSD17B10HPGD
Hydrochloric Acid SCHEMBL9212528 0.97 ALDH1A1 (0.38) KDM4EALDH1A1TP53HSD17B10HPGD
Hydrochloric Acid SCHEMBL9337436 0.97 ALDH1A1 (0.38) KDM4EALDH1A1TP53HSD17B10HPGD
Hydrochloric Acid SCHEMBL9213968 0.96 KDM4E (0.40) KDM4EALDH1A1TP53HSD17B10HPGD
Hydrochloric Acid SCHEMBL9205116 0.88 ADORA3 (0.40) KDM4EALDH1A1TP53HSD17B10HPGD
Hydrochloric Acid SCHEMBL9212238 0.86 ADORA3 (0.40) KDM4EALDH1A1TP53HSD17B10HPGD
Hydrochloric Acid SCHEMBL9215684 0.85 ADORA3 (0.39) KDM4EALDH1A1TP53HSD17B10HPGD
Hydrochloric Acid SCHEMBL9216313 0.85 ADORA3 (0.39) KDM4EALDH1A1TP53HSD17B10HPGD
SCHEMBL9203548 0.84 ADORA3 (0.40) KDM4EALDH1A1TP53HSD17B10HPGD
Hydrochloric Acid SCHEMBL9203780 0.84 ADORA3 (0.41) KDM4EALDH1A1TP53HSD17B10HPGD

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
EP-0536169-B1 [3H,7H]THIAZOLO [3,4-a]PYRIDINES WITH ANTIASTHMATIC AND ANTIINFLAMMATORY ACTIONS ON THE RESPIRATORY TRACT BOEHRINGER MANNHEIM ITALIA (IT) 1995-04-05 EP disclosed
US-5336676-A [3H,7H]thiazolo[3,4-a]pyridines with antiasthmatic and antiinflammatory actions on the respiratory tract BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1994-08-09 US disclosed
WO-1991018906-A1 [3H,7H]THIAZOLO[3,4-a]PYRIDINES WITH ANTIASTHMATIC AND ANTIINFLAMMATORY ACTIONS ON THE RESPIRATORY TRACT BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1991-12-12 WO disclosed