SCHEMBL16409581

SCHEMBL16409581

c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSPO P30536 2/20 0.36
PIM3 Q86V86 1/20 0.36
GPR3 P46089 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LIMK1 P53667 1/20 0.34
HDAC4 P56524 1/20 0.34
RAC2 P15153 1/20 0.33
RAC3 P60763 1/20 0.33
CDC42 P60953 1/20 0.33
RAC1 P63000 1/20 0.33
CYP1A2 P05177 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32

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
SCHEMBL16409595 1.00 KDM4E (0.38) KDM4EATML3MBTL1TSPOPIM3
SCHEMBL16409585 0.99 PIM3 (0.36) KDM4EATML3MBTL1TSPOPIM3
SCHEMBL17109986 0.96 L3MBTL1 (0.41) KDM4EATML3MBTL1TSPOPIM3
SCHEMBL17110024 0.96 L3MBTL1 (0.41) KDM4EATML3MBTL1TSPOPIM3
SCHEMBL25941103 0.96 L3MBTL1 (0.41) KDM4EATML3MBTL1TSPOPIM3
SCHEMBL17109993 0.96 L3MBTL1 (0.41) KDM4EATML3MBTL1TSPOPIM3
SCHEMBL14212283 0.96 L3MBTL1 (0.41) KDM4EATML3MBTL1TSPOPIM3
SCHEMBL16641528 0.96 L3MBTL1 (0.41) KDM4EATML3MBTL1TSPOPIM3
SCHEMBL23556699 0.96 KDM4E (0.41) KDM4EATML3MBTL1TSPOPIM3
SCHEMBL20706754 0.96 KDM4E (0.41) KDM4EATML3MBTL1TSPOPIM3

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-2015009102-A1 ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 (KR) 2015-01-22 WO disclosed