Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7628982

COC(=O)Nc1cc(Cl)c(NC(=O)CN2CC[N+](C)(CC(=O)Nc3cc(O)c(NC(=O)OC)cc3Cl)CC2)cc1O.[Cl-]

nearest known ligand 0.43

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 8/20 0.43
TSHR P16473 3/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
GFER P55789 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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 SCHEMBL7636526 1.00 ALDH1A1 (0.43) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL7805177 0.99 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL7636160 0.90 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL6571941 0.90 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL6938896 0.90 POLB (0.38) ALDH1A1TSHRMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL6937225 0.90 POLB (0.38) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL6941973 0.89 POLB (0.38) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL6939445 0.89 POLB (0.38) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL7798698 0.89 ALDH1A1 (0.45) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL6572763 0.89 ALDH1A1 (0.45) ALDH1A1TSHRMEN1KMT2ALMNA

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