Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6944298

C[n+]1ccn(CC(=O)N(O)c2cccc(Cl)c2)c1.[Cl-]

nearest known ligand 0.52

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
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNB1 Q02641 1/20 0.34
CACNA1C Q13936 1/20 0.34
GRIN1 Q05586 1/20 0.34

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
SCHEMBL6941368 0.99 LMNA (0.44) LMNASMN1; SMN2THRBHPGDL3MBTL1
Hydrochloric Acid SCHEMBL6572775 0.85 MEN1 (0.43) LMNASMN1; SMN2MEN1HSP90AA1KMT2A
Hydrochloric Acid SCHEMBL6945659 0.84 MTNR1B (0.41) LMNASMN1; SMN2THRBHPGDL3MBTL1
SCHEMBL6943176 0.83 LMNA (0.49) LMNASMN1; SMN2THRBHPGDL3MBTL1
SCHEMBL6573839 0.83 MEN1 (0.44) LMNASMN1; SMN2MEN1HSP90AA1KMT2A
Hydrochloric Acid SCHEMBL6940898 0.82 LMNA (0.40) LMNASMN1; SMN2THRBHPGDL3MBTL1
SCHEMBL6943681 0.82 MTNR1B (0.42) LMNASMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL6945134 0.82 HTR7 (0.40) LMNASMN1; SMN2THRBHPGDL3MBTL1
Hydrochloric Acid SCHEMBL6941405 0.82 CYP1A2 (0.44) LMNASMN1; SMN2THRBHPGDL3MBTL1
Hydrochloric Acid SCHEMBL6941393 0.81 LMNA (0.39) LMNASMN1; SMN2THRBHPGDL3MBTL1

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