Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7019764

COC(=O)Nc1ccc2c(NC(=O)Cn3cc[n+](C)c3)cccc2c1O.[Cl-]

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 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 4/20 0.36
AHR P35869 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 6/20 0.36
CYP2C19 P33261 4/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 2/20 0.36
LMNA P02545 3/20 0.36
MAPK1 P28482 3/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 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
Hydrochloric Acid SCHEMBL7024300 1.00 ALDH1A1 (0.39) ALDH1A1POLBKDM4EAHRNPSR1
SCHEMBL7013296 0.99 ALDH1A1 (0.39) ALDH1A1POLBKDM4EAHRNPSR1
SCHEMBL7015860 0.99 ALDH1A1 (0.39) ALDH1A1POLBKDM4EAHRNPSR1
Hydrochloric Acid SCHEMBL7099721 0.94 HPGD (0.40) ALDH1A1POLBKDM4EAHRNPSR1
SCHEMBL7022184 0.93 HPGD (0.40) ALDH1A1POLBKDM4EAHRNPSR1
Hydrochloric Acid SCHEMBL5479669 0.90 HPGD (0.37) ALDH1A1POLBKDM4EHPGDCYP2C19
Hydrochloric Acid SCHEMBL7024036 0.90 HPGD (0.37) ALDH1A1POLBKDM4EHPGDCYP2C19
SCHEMBL7016346 0.89 HPGD (0.38) ALDH1A1POLBKDM4EHPGDCYP2C19
SCHEMBL7016732 0.89 HPGD (0.38) ALDH1A1POLBKDM4EHPGDCYP2C19
Hydrochloric Acid SCHEMBL5479651 0.85 EP300 (0.42) KDM4EHPGDLMNAMAPK1MAPT

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 2 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 disclosed