Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6573111

CC(=O)Nc1ccc(NC(=O)Cn2cc[n+](CC(=O)Nc3ccc(NC(C)=O)cc3O)c2)c(O)c1.[Cl-]

nearest known ligand 0.38

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 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 4/20 0.37
TSHR P16473 3/20 0.37
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RECQL P46063 1/20 0.36
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
MAOA P21397 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6575606 0.99 POLB (0.39) POLBNPC1MAPTRAB9APKM
Hydrochloric Acid SCHEMBL7638035 0.96 POLB (0.40) POLBNPC1MAPTRAB9AHPGD
Hydrochloric Acid SCHEMBL6572998 0.89 CYP1A2 (0.37) POLBMAPTHPGDTSHRALDH1A1
SCHEMBL6572652 0.88 CYP1A2 (0.38) POLBMAPTHPGDTSHRALDH1A1
Hydrochloric Acid SCHEMBL7629738 0.87 HSP90AA1 (0.39) POLBMAPTHPGDTSHRALDH1A1
Hydrochloric Acid SCHEMBL5243053 0.87 POLB (0.40) POLBNPC1MAPTRAB9APKM
SCHEMBL6943594 0.85 POLB (0.40) POLBNPC1MAPTRAB9APKM
Hydrochloric Acid SCHEMBL5526645 0.85 HPGD (0.49) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL6572672 0.84 HPGD (0.50) NPC1RAB9AHPGDALDH1A1MEN1
Hydrochloric Acid SCHEMBL6572916 0.83 RAD52 (0.39) POLBHPGDALDH1A1MEN1KMT2A

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-1066263-B1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS OREAL (FR) 2004-05-26 EP 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 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