Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5228882

OCCn1ccc(=NN=C(N=Nc2cc[n+](CO)cc2)c2ccccc2)cc1.[Cl-]

nearest known ligand 0.31

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 3)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
L3MBTL1 Q9Y468 2/20 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 SCHEMBL4807994 0.94 NPC1 (0.31) NPC1RAB9AL3MBTL1
SCHEMBL5318571 0.92 NPC1 (0.32) NPC1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL4805175 0.82 NPC1 (0.34) NPC1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL5225697 0.80
Hydrochloric Acid SCHEMBL5215835 0.79
Hydrochloric Acid SCHEMBL4804209 0.76 RAB9A (0.34) NPC1RAB9AL3MBTL1
SCHEMBL5196641 0.75 RAB9A (0.34) NPC1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL4802401 0.72
SCHEMBL5196304 0.70
Hydrochloric Acid SCHEMBL4806006 0.68

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-1548006-B1 Synthesis of tetraazapentamethine derivatives, keratin fibers dyeing process which uses such synthesis OREAL (FR) 2007-09-05 EP claimed