SCHEMBL9936780

SCHEMBL9936780

CCOc1ccc(N)c2c(CC)c(C)[nH]c12.CCOc1ccc(N)c2c(CC)c(C)n(C)c12

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL9965004 0.88 MAPT (0.39) KDM4EMEN1POLBMAPTKMT2A
SCHEMBL9964993 0.87 MAPT (0.40) KDM4EMEN1POLBMAPTKMT2A
SCHEMBL9964979 0.76 CYP19A1 (0.42) KDM4EMEN1POLBMAPTKMT2A
SCHEMBL9965021 0.75 MEN1 (0.41) KDM4EMEN1POLBMAPTKMT2A
SCHEMBL9964988 0.75 KDM4E (0.51) KDM4EMEN1POLBMAPTKMT2A
SCHEMBL9965008 0.74 SMN1; SMN2 (0.44) KDM4EMEN1POLBKMT2AALDH1A1
SCHEMBL9964968 0.73 MAPT (0.49) KDM4EMEN1POLBMAPTKMT2A
SCHEMBL9964958 0.73 SMN1; SMN2 (0.46) KDM4EMEN1POLBKMT2AALDH1A1
SCHEMBL9964961 0.72 MAPT (0.35) KDM4EMEN1POLBMAPTKMT2A
SCHEMBL9964984 0.72 ROCK2 (0.40) KDM4E

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-2651516-A2 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'Oréal (FR) 2013-10-23 EP claimed
WO-2012080285-A2 DYE COMPOSITION COMPRISING A SECONDARY PARA-PHENYLENEDIAMINE OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'OREAL (FR) 2012-06-21 WO claimed
WO-2012080321-A2 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'OREAL (FR) 2012-06-21 WO claimed