SCHEMBL16482194

SCHEMBL16482194

c1cc(-c2cccc3c2sc2ccccc23)cc(-n2c3cc(-n4c5ccccc5c5ccccc54)ccc3c3c4sc5ccccc5c4ccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
PRKDC P78527 5/20 0.37
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PARP14 Q460N5 1/20 0.33
MAPT P10636 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PIK3CD O00329 1/20 0.31
BRD4 O60885 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
KCNH2 Q12809 1/20 0.31
BRDT Q58F21 1/20 0.31
TP53 P04637 1/20 0.30
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
F9 P00740 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
SCHEMBL16171138 0.96 ALOX5 (0.48) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL16482262 0.94 ALOX5 (0.45) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL16484394 0.94 ALOX5 (0.47) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL16171178 0.93 ALOX5 (0.46) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL16409586 0.93 ALOX5 (0.50) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL16482349 0.92 ALOX5 (0.45) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL18589621 0.92 ALOX5 (0.43) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL18589602 0.92 ALOX5 (0.43) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL16482212 0.91 ATM (0.38) ALOX5KDM4EATML3MBTL1MAPT
SCHEMBL18589570 0.91 ALOX5 (0.43) ALOX5PRKDCKDM4EATML3MBTL1

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-2014057659-A1 COMPOUND, AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME 出光興産株式会社 (JP) 2014-04-17 WO disclosed