SCHEMBL9937543

SCHEMBL9937543

CCc1ccc(N)c2c(C)c(C)[nH]c12.CCc1ccc(N)c2c(CC)c(C)[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RAB9A P51151 2/20 0.30
STAT1 P42224 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ATM Q13315 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL9964975 0.94 MAP4K1 (0.36) MAP4K1MAPTHTTKDM4EMEN1
SCHEMBL9964969 0.92 KDM4E (0.37) POLBMAPTKDM4EMEN1GAA
SCHEMBL9937009 0.86 CYP1A2 (0.42) POLBMAPTHTTKDM4EMEN1
SCHEMBL9938303 0.81 KDM4E (0.31) POLBMAPTKDM4EMEN1GAA
SCHEMBL9937603 0.81 KDM4E (0.30) POLBMAPTKDM4EMEN1GAA
SCHEMBL9964974 0.79 CYP1A2 (0.46) MAP4K1POLBMAPTHTTKDM4E
SCHEMBL9964988 0.74 KDM4E (0.51) POLBMAPTKDM4EMEN1GAA
SCHEMBL9964971 0.74 HTT (0.30) HTT
SCHEMBL9964993 0.73 MAPT (0.40) MAP4K1POLBMAPTKDM4EMEN1
SCHEMBL9936869 0.71 AHR (0.44) POLBMAPTKDM4EMEN1GAA

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-2651889-A1 4-AMINOINDOLE DERIVATIVES AND USE THEREOF FOR THE OXIDATION DYEING OF KERATIN FIBRES L'Oréal (FR) 2013-10-23 EP disclosed
WO-2012080288-A1 4-AMINOINDOLE DERIVATIVES AND USE THEREOF FOR THE OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2012-06-21 WO disclosed
WO-2012080285-A2 DYE COMPOSITION COMPRISING A SECONDARY PARA-PHENYLENEDIAMINE OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'OREAL (FR) 2012-06-21 WO disclosed