Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6941908

COc1cc(NC(=O)C[n+]2ccccc2)c(O)cc1NC(C)=O.[Cl-]

nearest known ligand 0.60

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
POLB P06746 3/20 0.60
KMT2A Q03164 7/20 0.56
ALDH1A1 P00352 5/20 0.56
GAA P10253 1/20 0.52
HSP90AA1 P07900 2/20 0.49
MEN1 O00255 2/20 0.48
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
MAPK1 P28482 3/20 0.45
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.43
PKM P14618 1/20 0.43
BACE1 P56817 1/20 0.43
AHR P35869 1/20 0.43
RAB9A P51151 1/20 0.42

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 SCHEMBL6940856 1.00 POLB (0.60) POLBKMT2AALDH1A1GAAHSP90AA1
SCHEMBL6943678 0.99 POLB (0.58) POLBKMT2AALDH1A1GAAHSP90AA1
SCHEMBL6943705 0.99 POLB (0.58) POLBKMT2AALDH1A1GAAHSP90AA1
Hydrochloric Acid SCHEMBL6942987 0.91 POLB (0.60) POLBKMT2AALDH1A1GAAHSP90AA1
Hydrochloric Acid SCHEMBL6946096 0.91 POLB (0.60) POLBKMT2AALDH1A1GAAHSP90AA1
SCHEMBL6940472 0.89 POLB (0.58) POLBKMT2AALDH1A1GAAHSP90AA1
SCHEMBL6941219 0.89 POLB (0.58) POLBKMT2AALDH1A1GAAHSP90AA1
Hydrochloric Acid SCHEMBL6939491 0.85 POLB (0.63) POLBKMT2AALDH1A1HSP90AA1MEN1
Hydrochloric Acid SCHEMBL6939581 0.85 POLB (0.63) POLBKMT2AALDH1A1HSP90AA1MEN1
Hydrochloric Acid SCHEMBL6574257 0.85 POLB (0.57) POLBKMT2AALDH1A1HSP90AA1MEN1

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