Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3150864

CC(C)C(C(N)=O)c1cn(C)c2ccccc12.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 18)

geneUniProtsupporting neighboursconfidence
GAA known ✓ P10253 1/20 0.43
IDO1 P14902 1/20 0.54
KDM4E B2RXH2 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 2/20 0.43
NR4A2 P43354 1/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.42
APAF1 O14727 1/20 0.42

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
SCHEMBL8685889 0.98 IDO1 (0.55) IDO1KDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL4092924 0.83 IDO1 (0.58) IDO1KDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL29003631 0.77 KDM4E (0.62) IDO1KDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL27749752 0.76 KDM4E (0.57) IDO1KDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL2395366 0.75 ALOX5 (0.53) IDO1KDM4EALDH1A1KMT2AMEN1
SCHEMBL2687045 0.75 KDM4E (0.64) IDO1KDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL28952690 0.75 KDM4E (0.56) IDO1KDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL2406848 0.74 KDM4E (0.55) IDO1KDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL19866686 0.74 IDO1 (0.57) IDO1KDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL3904321 0.74 IDO1 (0.62) IDO1KDM4EL3MBTL1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1449529-B1 Protein Kinase C Inhibitors LILLY CO ELI (US) 2010-01-27 EP disclosed
EP-0817627-B1 PROTEIN KINASE C INHIBITORS LILLY CO ELI (US) 2005-03-09 EP disclosed
EP-1449529-A1 Protein Kinase C Inhibitors ELI LILLY AND COMPANY (US) 2004-08-25 EP disclosed
EP-0817627-A1 PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1998-01-14 EP disclosed
US-5672618-A TREATING DIABETIC COMPLICATIONS ELI LILLY AND COMPANY (US) 1997-09-30 US disclosed
US-5668152-A BIS/INDOLE/-SUBSTITUTED MALEIMIDES, ANTIDIABETIC AGENTS ELI LILLY AND COMPANY (US) 1997-09-16 US disclosed
US-5661173-A ADMINISTERING AN ENZYME INHIBITOR TREATING DIABETES ELI LILLY AND COMPANY (US) 1997-08-26 US disclosed
US-5545636-A TREATING DIABETES MELLITUS ELI LILLY AND COMPANY (US) 1996-08-13 US disclosed
WO-1995017182-A1 PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1995-06-29 WO disclosed