Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7173133

CCc1cc(C)cc(CC)c1N=C(C)c1cccc(C(C)=Nc2c(CC)cc(C)cc2CC)n1.[Cl-].[Cl-].[Cl-].[Nd+3]

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 2/20 0.33
HSP90AA1 P07900 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALOX15 P16050 2/20 0.32
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
ACMSD Q8TDX5 1/20 0.32
HTT P42858 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
OPRK1 P41145 1/20 0.31
RAB9A P51151 1/20 0.31

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 SCHEMBL7175522 0.98 CYP1A2 (0.38) CYP1A2ALDH1A1MEN1KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL7178113 0.98 CYP1A2 (0.38) CYP1A2ALDH1A1MEN1KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL7176738 0.98 CYP1A2 (0.38) CYP1A2ALDH1A1MEN1KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL7176573 0.98 CYP1A2 (0.38) CYP1A2ALDH1A1MEN1KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL7181723 0.98 CYP1A2 (0.38) CYP1A2ALDH1A1MEN1KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL7173206 0.98 CYP1A2 (0.38) CYP1A2ALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL14280772 0.98 CYP1A2 (0.40) CYP1A2ALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL28699372 0.93 CYP1A2 (0.40) CYP1A2ALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL7184995 0.90 CYP1A2 (0.33) CYP1A2HSP90AA1
Hydrochloric Acid SCHEMBL7182780 0.89 ALDH1A1 (0.30) ALDH1A1HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1367069-A1 Process for homo-or copolymerization of conjugated diens DOW GLOBAL TECHNOLOGIES INC. (US) 2003-12-03 EP disclosed