Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6944291

C[n+]1ccn(CC(=O)Nc2cc(Cl)ccc2O)c1.[Cl-]

nearest known ligand 0.57

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 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.55
HTT P42858 1/20 0.53
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KCNMA1 Q12791 6/20 0.45
STAT3 P40763 1/20 0.44

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
SCHEMBL6941358 0.99 POLB (0.56) POLBHTTMEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL6940683 0.85 HPGD (0.48) MEN1KMT2AHPGDALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL6572772 0.84 POLB (0.53) POLBHTTMEN1KMT2AHPGD
SCHEMBL6943172 0.83 MAPT (0.49) MEN1KMT2AHPGDALDH1A1MAPK1
Hydrochloric Acid SCHEMBL6945631 0.83 ALDH1A1 (0.55) POLBHTTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6940892 0.83 HPGD (0.43) POLBHTTMEN1KMT2AHPGD
SCHEMBL6573830 0.82 POLB (0.55) POLBHTTMEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL6938864 0.82 LMNA (0.40) POLBHTTHPGDALDH1A1MAPK1
Hydrochloric Acid SCHEMBL6939292 0.81 HPGD (0.43) HPGDALDH1A1MAPK1LMNAGAA
Hydrochloric Acid SCHEMBL6941314 0.81 HPGD (0.51) MEN1KMT2AHPGDALDH1A1LMNA

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