Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6941513

COC(=O)Nc1cc(Cl)c(NC(=O)Cn2cc[n+](C)c2)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 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
HPGD P15428 3/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 7/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34
STAT3 P40763 1/20 0.33

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 SCHEMBL6939997 1.00 LMNA (0.38) LMNAHPGDMAPK1ALDH1A1SMN1; SMN2
SCHEMBL6939908 0.99 LMNA (0.39) LMNAHPGDMAPK1ALDH1A1SMN1; SMN2
SCHEMBL6943533 0.99 LMNA (0.39) LMNAHPGDMAPK1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6939645 0.89 LMNA (0.39) LMNAHPGDMAPK1ALDH1A1SMN1; SMN2
SCHEMBL6946185 0.88 LMNA (0.40) LMNAHPGDMAPK1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7635532 0.87 POLB (0.39) LMNAHPGDMAPK1ALDH1A1HTT
Hydrochloric Acid SCHEMBL7630524 0.87 POLB (0.39) LMNAHPGDMAPK1ALDH1A1HTT
Hydrochloric Acid SCHEMBL6939556 0.87 ALDH1A1 (0.43) LMNAMAPK1ALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL6944884 0.87 ALDH1A1 (0.43) LMNAMAPK1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7807367 0.86 HPGD (0.37) LMNAHPGDMAPK1ALDH1A1HTT

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