SCHEMBL6574937

SCHEMBL6574937

Cc1ccc(NC(=O)C[n+]2ccn(CC(=O)Nc3cc(Cl)c(C)c(Cl)c3O)c2)c(O)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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 SCHEMBL6571886 0.99 HPGD (0.40) HPGDLMNAMAPK1MEN1KMT2A
SCHEMBL6572970 0.91 HPGD (0.41) HPGDLMNAMAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL6573781 0.90 MAPK1 (0.40) HPGDLMNAMAPK1MEN1KMT2A
SCHEMBL6572672 0.88 HPGD (0.50) HPGDMEN1KMT2AGAANPC1
Hydrochloric Acid SCHEMBL5526645 0.87 HPGD (0.49) HPGDMEN1KMT2AGAANPC1
SCHEMBL6575298 0.82 HPGD (0.45) HPGDMEN1KMT2AGAANPC1
Hydrochloric Acid SCHEMBL6572037 0.82 HPGD (0.44) HPGDMEN1KMT2AGAANPC1
SCHEMBL6572100 0.81 HPGD (0.43) HPGDLMNAMAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL6572664 0.80 HPGD (0.42) HPGDLMNAMAPK1MEN1KMT2A
SCHEMBL6573660 0.79 KMT2A (0.34) HPGDLMNAMAPK1MEN1KMT2A

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-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
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