SCHEMBL16631108

SCHEMBL16631108

c1ccc(Nc2ccc(C3(c4cccc5c4oc4ccccc45)c4ccccc4-c4ccccc43)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 6/20 0.39
HPGD P15428 4/20 0.39
LMNA P02545 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TSHR P16473 2/20 0.39
CASP3 P42574 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
CDK2 P24941 1/20 0.39
ALOX5 P09917 2/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
POLB P06746 1/20 0.38
PDK2 Q15119 1/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
OPRK1 P41145 1/20 0.36
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36

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
SCHEMBL17774323 0.94 ALOX5 (0.40) KDM4EALDH1A1HPGDLMNATDP1
SCHEMBL440074 0.89 ALOX5 (0.43) KDM4EALDH1A1HPGDLMNAALOX5
SCHEMBL17805027 0.88 ALOX5 (0.45) KDM4EALDH1A1HPGDLMNATDP1
SCHEMBL16614179 0.84 KDM4E (0.36) KDM4EALDH1A1HPGDLMNATDP1
SCHEMBL18329351 0.84 ALOX5 (0.44) KDM4EALDH1A1HPGDLMNATDP1
SCHEMBL437591 0.83 ALOX5 (0.50) KDM4ELMNACDK2ALOX5KMT2A
SCHEMBL22932902 0.83 ALOX5 (0.39) KDM4EALDH1A1HPGDLMNATDP1
SCHEMBL16631812 0.83 CDK2 (0.35) CDK2ALOX5
SCHEMBL22639848 0.82 ALOX5 (0.36) KDM4ELMNACDK2ALOX5KMT2A
SCHEMBL438617 0.82 ALOX5 (0.49) KDM4EALDH1A1HPGDLMNACDK2

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-2015050391-A1 AN ORGANIC ELECTROLUMINESCENT COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-04-09 WO disclosed