Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6942966

CC(=O)Nc1ccccc1N(O)C(=O)C[n+]1ccccc1.[Cl-]

nearest known ligand 0.46

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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 2/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSP90AA1 P07900 3/20 0.40
TSHR P16473 3/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.39
BRD4 O60885 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6941691 0.99 POLB (0.44) POLBALDH1A1KMT2AMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL7636184 0.81 MEN1 (0.41) POLBALDH1A1KMT2AMAPK1HSP90AA1
Hydrochloric Acid SCHEMBL6944233 0.78 TDP1 (0.45) ALDH1A1KMT2AHSP90AA1LMNA
Hydrochloric Acid SCHEMBL6573230 0.77 HSP90AA1 (0.42) POLBALDH1A1KMT2AMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL7073691 0.77 KMT2A (0.52) POLBALDH1A1KMT2AHSP90AA1LMNA
Hydrochloric Acid SCHEMBL6943286 0.77 POLB (0.45) POLBALDH1A1KMT2AMAPK1L3MBTL1
SCHEMBL6939386 0.76 TDP1 (0.46) POLBALDH1A1KMT2AHSP90AA1HSD17B10
SCHEMBL6946228 0.76 KDM4E (0.41) POLBALDH1A1KMT2AMAPK1L3MBTL1
SCHEMBL6940581 0.76 HSP90AA1 (0.50) POLBALDH1A1KMT2AL3MBTL1HSP90AA1
SCHEMBL6945414 0.75 POLB (0.43) POLBALDH1A1KMT2AMAPK1L3MBTL1

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