Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7628902

COC(=O)Nc1c(Cl)cc(NC(=O)Cn2cc[n+](CC(=O)Nc3cc(Cl)c(NC(=O)OC)c(Cl)c3O)c2)c(O)c1Cl.[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 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
POLB P06746 3/20 0.38
MAPK1 P28482 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 3/20 0.36
ATM Q13315 1/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2D6 P10635 2/20 0.33
HPGD P15428 1/20 0.33
CYP2C9 P11712 3/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
RECQL P46063 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 SCHEMBL6572714 0.90 ALDH1A1 (0.37) ALDH1A1POLBMAPK1L3MBTL1MEN1
SCHEMBL6573675 0.89 ALDH1A1 (0.36) ALDH1A1POLBMAPK1L3MBTL1MEN1
Hydrochloric Acid SCHEMBL6944858 0.88 ALDH1A1 (0.36) ALDH1A1POLBMAPK1L3MBTL1MEN1
SCHEMBL6946291 0.87 ALDH1A1 (0.36) ALDH1A1MAPK1MEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL7630524 0.85 POLB (0.39) ALDH1A1POLBMAPK1L3MBTL1MEN1
Hydrochloric Acid SCHEMBL7635532 0.85 POLB (0.39) ALDH1A1POLBMAPK1L3MBTL1MEN1
Hydrochloric Acid SCHEMBL6573781 0.85 MAPK1 (0.40) ALDH1A1POLBMAPK1L3MBTL1MEN1
SCHEMBL7807367 0.84 HPGD (0.37) ALDH1A1POLBMAPK1L3MBTL1MEN1
SCHEMBL6572970 0.83 HPGD (0.41) ALDH1A1POLBMAPK1L3MBTL1MEN1
Hydrochloric Acid SCHEMBL6572968 0.83 POLB (0.35) ALDH1A1POLBMAPK1L3MBTL1MEN1

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
US-6455737-B1 CATIONIC DYES AND OXIDATION BASES HAVING INTENSE SHADES OR COLORS AND COLORFASTNESS USED ON HUMAN KERATIN FIBERS SUCH AS HAIR; MULTICOMPARTMENT KITS L'OREAL S.A. (FR) 2002-09-24 US claimed
US-6455737-B1 CATIONIC DYES AND OXIDATION BASES HAVING INTENSE SHADES OR COLORS AND COLORFASTNESS USED ON HUMAN KERATIN FIBERS SUCH AS HAIR; MULTICOMPARTMENT KITS L'OREAL S.A. (FR) 2002-09-24 US disclosed