Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7101165

C[n+]1ccn(CC(=O)Nc2ccc3cccc(NC(=O)Cn4cc[n+](C)c4)c3c2O)c1.[Cl-].[Cl-]

nearest known ligand 0.40

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 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.39
LMNA P02545 4/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.35
AHR P35869 1/20 0.35
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7020504 0.99 HPGD (0.40) HPGDLMNAMAPK1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7022378 0.96 HPGD (0.40) HPGDLMNAMAPK1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7019707 0.96 HPGD (0.40) HPGDLMNAMAPK1MAPTSMN1; SMN2
SCHEMBL7017575 0.95 HPGD (0.41) HPGDLMNAMAPK1MAPTSMN1; SMN2
SCHEMBL7024028 0.95 HPGD (0.41) HPGDLMNAMAPK1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7025161 0.94 KDM4E (0.36) HPGDLMNAMAPK1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7021856 0.94 KDM4E (0.36) HPGDLMNAMAPK1MAPTSMN1; SMN2
SCHEMBL7019060 0.93 HPGD (0.36) HPGDLMNAMAPK1MAPTSMN1; SMN2
SCHEMBL7027119 0.93 HPGD (0.36) HPGDLMNAMAPK1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7021404 0.91 HPGD (0.34) HPGDLMNAMAPK1MAPTSMN1; SMN2

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-1066246-B1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING OREAL (FR) 2003-11-05 EP claimed
US-6605124-B1 Naphthol hair dyes for keratinous fibers L'OREAL S.A. (FR) 2003-08-12 US claimed
US-6605124-B1 Naphthol hair dyes for keratinous fibers L'OREAL S.A. (FR) 2003-08-12 US disclosed