Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7022378

CC(=O)Nc1cccc2ccc(NC(=O)Cn3cc[n+](C)c3)c(O)c12.[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 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 3/20 0.36
MAPK1 P28482 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.33
AHR P35869 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32

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 SCHEMBL7019707 1.00 HPGD (0.40) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL7017575 0.99 HPGD (0.41) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL7024028 0.99 HPGD (0.41) HPGDMAPTKDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL7101165 0.96 HPGD (0.39) HPGDMAPTKDM4ELMNAMAPK1
SCHEMBL7020504 0.95 HPGD (0.40) HPGDMAPTKDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL7025161 0.90 KDM4E (0.36) HPGDMAPTKDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL7021856 0.90 KDM4E (0.36) HPGDMAPTKDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL6942071 0.89 HPGD (0.42) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL7027119 0.89 HPGD (0.36) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL7019060 0.89 HPGD (0.36) HPGDMAPTKDM4EALDH1A1LMNA

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