SCHEMBL6573686

SCHEMBL6573686

Nc1ccc(NC(=O)Cn2cc[n+](CC(=O)Nc3ccc(N)cc3O)c2)c(O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 4/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
GFER P55789 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA4 P22748 1/20 0.34
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.33

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 SCHEMBL6572916 0.99 RAD52 (0.39) RAD52MEN1RECQLKMT2AHPGD
SCHEMBL6575298 0.94 HPGD (0.45) RAD52MEN1KMT2AHPGDCYP1A2
Hydrochloric Acid SCHEMBL6572037 0.93 HPGD (0.44) RAD52MEN1KMT2AHPGDPOLB
SCHEMBL6572672 0.86 HPGD (0.50) MEN1KMT2AHPGDCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL5526645 0.85 HPGD (0.49) MEN1KMT2AHPGDCYP1A2CYP2C19
SCHEMBL6944875 0.84 RAD52 (0.43) RAD52HPGDPOLBLMNATDP1
SCHEMBL6572929 0.83 MAPK1 (0.38) MEN1RECQLKMT2AHPGDPOLB
Hydrochloric Acid SCHEMBL6939662 0.83 RAD52 (0.42) RAD52HPGDPOLBLMNATDP1
SCHEMBL6575606 0.83 POLB (0.39) MEN1RECQLKMT2AHPGDPOLB
SCHEMBL6574287 0.83 KMT2A (0.48) MEN1RECQLKMT2AHPGDPOLB

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-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
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 disclosed
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 disclosed