Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6946250

COC(=O)Nc1ccc(N(O)C(=O)C[n+]2ccccc2)cc1OC.[Cl-]

nearest known ligand 0.54

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 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
KMT2A Q03164 6/20 0.53
ALDH1A1 P00352 5/20 0.53
HSP90AA1 P07900 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 2/20 0.43
HTT P42858 2/20 0.42
BACE1 P56817 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 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
SCHEMBL6940483 0.99 POLB (0.52) POLBKMT2AALDH1A1HSP90AA1SMN1; SMN2
Hydrochloric Acid SCHEMBL6941921 0.91 POLB (0.54) POLBKMT2AALDH1A1HSP90AA1SMN1; SMN2
SCHEMBL6943691 0.90 POLB (0.52) POLBKMT2AALDH1A1HSP90AA1SMN1; SMN2
Hydrochloric Acid SCHEMBL6938954 0.87 ALDH1A1 (0.45) POLBKMT2AALDH1A1HSP90AA1SMN1; SMN2
SCHEMBL6939441 0.85 ALDH1A1 (0.43) POLBKMT2AALDH1A1HSP90AA1HTT
Hydrochloric Acid SCHEMBL7632203 0.83 CYP1A2 (0.39) POLBKMT2AALDH1A1PKMHTT
Hydrochloric Acid SCHEMBL6943412 0.82 POLB (0.47) POLBKMT2AALDH1A1HSP90AA1SMN1; SMN2
Hydrochloric Acid SCHEMBL6941349 0.82 POLB (0.47) POLBKMT2AALDH1A1HSP90AA1SMN1; SMN2
SCHEMBL7805138 0.81 CYP1A2 (0.40) POLBKMT2AALDH1A1PKMHTT
Hydrochloric Acid SCHEMBL6943586 0.81 HSP90AA1 (0.55) POLBKMT2AALDH1A1HSP90AA1SMN1; 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 5 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-6537329-B1 Intense colorations with a wide range of colours, excellent colorfastness L'OREAL S.A. (FR) 2003-03-25 US claimed
US-6544298-B1 Dyeing human hair using coupler L'OREAL (FR) 2003-04-08 US disclosed
US-6537329-B1 Intense colorations with a wide range of colours, excellent colorfastness L'OREAL S.A. (FR) 2003-03-25 US disclosed