Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6944858

COC(=O)Nc1c(Cl)cc(NC(=O)Cn2cc[n+](C)c2)c(O)c1Cl.[Cl-]

nearest known ligand 0.41

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
ALDH1A1 P00352 8/20 0.36
MAPK1 P28482 4/20 0.34
LMNA P02545 3/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 2/20 0.31
AHR P35869 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 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
SCHEMBL6946291 0.99 ALDH1A1 (0.36) ALDH1A1MAPK1LMNAHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6942108 0.90 HPGD (0.35) ALDH1A1MAPK1LMNAHPGDSMN1; SMN2
SCHEMBL6946387 0.89 HPGD (0.36) ALDH1A1MAPK1LMNAHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL7628902 0.88 ALDH1A1 (0.38) ALDH1A1MAPK1LMNAHPGDHTT
Hydrochloric Acid SCHEMBL6941513 0.84 LMNA (0.38) ALDH1A1MAPK1LMNAHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6939997 0.84 LMNA (0.38) ALDH1A1MAPK1LMNAHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL5484769 0.84 HPGD (0.42) ALDH1A1MAPK1LMNAHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6943653 0.83 HPGD (0.36) ALDH1A1MAPK1LMNAHPGDSMN1; SMN2
SCHEMBL6939908 0.83 LMNA (0.39) ALDH1A1MAPK1LMNAHPGDSMN1; SMN2
SCHEMBL6943533 0.83 LMNA (0.39) ALDH1A1MAPK1LMNAHPGDSMN1; SMN2

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-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP claimed
US-6544298-B1 Dyeing human hair using coupler L'OREAL (FR) 2003-04-08 US claimed
US-6544298-B1 Dyeing human hair using coupler L'OREAL (FR) 2003-04-08 US disclosed