SCHEMBL6573830

SCHEMBL6573830

O=C(Cn1cc[n+](CC(=O)Nc2cc(Cl)ccc2O)c1)Nc1cc(Cl)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.55
HTT P42858 1/20 0.50
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HPGD P15428 1/20 0.47
KCNMA1 Q12791 6/20 0.45
STAT3 P40763 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RECQL P46063 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 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 SCHEMBL6572772 0.99 POLB (0.53) POLBHTTALDH1A1MEN1KMT2A
SCHEMBL6574287 0.85 KMT2A (0.48) POLBHTTALDH1A1MEN1KMT2A
SCHEMBL6941358 0.84 POLB (0.56) POLBHTTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6572793 0.84 KMT2A (0.47) POLBALDH1A1MEN1KMT2AMAPK1
SCHEMBL6572929 0.83 MAPK1 (0.38) POLBHTTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6944291 0.82 POLB (0.55) POLBHTTALDH1A1MEN1KMT2A
SCHEMBL6572100 0.82 HPGD (0.43) POLBHTTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6572782 0.82 MAPK1 (0.38) POLBHTTALDH1A1MEN1KMT2A
SCHEMBL6572938 0.82 ALDH1A1 (0.54) POLBHTTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6573019 0.81 ALDH1A1 (0.53) POLBHTTALDH1A1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066263-B1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS OREAL (FR) 2004-05-26 EP claimed
EP-1066263-A1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP claimed
WO-2000043368-A1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
EP-1066263-B1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS OREAL (FR) 2004-05-26 EP disclosed