SCHEMBL20065780

SCHEMBL20065780

CC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3cccc4c3c3c5ccccc5ccc3n4-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
PTGES O14684 1/20 0.30
PDE6D O43924 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
SCHEMBL20066188 0.96 FLT3 (0.31) FLT3KDM4EALDH1A1MAPTHPGD
SCHEMBL20066182 0.95 PDE6D (0.32) FLT3KDM4EALDH1A1MAPTHPGD
SCHEMBL20065778 0.92 PDE6D (0.30) PDE6D
SCHEMBL20065782 0.92 PDE6D (0.32) PDE6D
SCHEMBL20065568 0.91 PDE6D (0.33) KDM4EALDH1A1MAPTHPGDPDE6D
SCHEMBL20065529 0.90 ALDH1A1 (0.33) KDM4EALDH1A1MAPTHPGD
SCHEMBL20065781 0.90 MAPT (0.31) FLT3MAPTHPGD
SCHEMBL20065785 0.89 MAPT (0.31) MAPTPDE6D
SCHEMBL20065777 0.89 MAPT (0.31) MAPTPDE6D
SCHEMBL20065532 0.89 ALDH1A1 (0.32) KDM4EALDH1A1MAPTHPGDPDE6D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018070835-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2018-04-19 WO disclosed