Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7635532

COC(=O)Nc1cc(O)c(NC(=O)Cn2cc[n+](CC(=O)Nc3cc(Cl)c(NC(=O)OC)cc3O)c2)cc1Cl.[Cl-]

nearest known ligand 0.42

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 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
MAPK1 P28482 2/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 6/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 4/20 0.35
CYP2C9 P11712 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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 SCHEMBL7630524 1.00 POLB (0.39) POLBMAPK1LMNAHPGDALDH1A1
SCHEMBL7807367 0.99 HPGD (0.37) POLBMAPK1LMNAHPGDALDH1A1
Hydrochloric Acid SCHEMBL6573898 0.89 POLB (0.40) POLBMAPK1LMNAHPGDALDH1A1
SCHEMBL6572876 0.88 LMNA (0.39) POLBMAPK1LMNAHPGDALDH1A1
Hydrochloric Acid SCHEMBL7635823 0.88 ALDH1A1 (0.42) POLBMAPK1LMNAALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL7632194 0.88 ALDH1A1 (0.42) POLBMAPK1LMNAALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL6941513 0.87 LMNA (0.38) POLBMAPK1LMNAHPGDALDH1A1
Hydrochloric Acid SCHEMBL6939997 0.87 LMNA (0.38) POLBMAPK1LMNAHPGDALDH1A1
SCHEMBL7805136 0.86 ALDH1A1 (0.42) POLBMAPK1LMNAALDH1A1CYP1A2
SCHEMBL7805068 0.86 ALDH1A1 (0.42) POLBMAPK1LMNAALDH1A1CYP1A2

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