SCHEMBL21151946

SCHEMBL21151946

CN/C=C\C(=N)c1cccc(-c2cccc3c2sc2ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
PARP14 Q460N5 1/20 0.41
F9 P00740 1/20 0.38
PRKDC P78527 3/20 0.34
S1PR5 Q9H228 3/20 0.33
S1PR4 O95977 2/20 0.33
GPR52 Q9Y2T5 1/20 0.32
SLC9A1 P19634 5/20 0.32
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
ASH1L Q9NR48 1/20 0.31
PIK3CD O00329 1/20 0.30
BRD4 O60885 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
MTOR P42345 1/20 0.30
PIK3CG P48736 1/20 0.30
KCNH2 Q12809 1/20 0.30
BRDT Q58F21 1/20 0.30
SLC22A12 Q96S37 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
SCHEMBL18411677 0.83 ALOX5 (0.56) ALOX5PARP14F9PRKDCSLC9A1
SCHEMBL21150987 0.79 ALOX5 (0.43) ALOX5PARP14PRKDCS1PR5S1PR4
SCHEMBL21150986 0.79 ALOX5 (0.42) ALOX5PARP14F9PRKDC
SCHEMBL14979087 0.78 PARP14 (0.39) ALOX5PARP14F9MAPTDHODH
SCHEMBL15004091 0.76 LIMK1 (0.37) ALOX5PARP14F9MAPT
SCHEMBL12996623 0.75 ALOX5 (0.61) ALOX5PARP14F9PRKDCS1PR5
SCHEMBL12996531 0.74 ALOX5 (0.71) ALOX5PARP14F9PRKDCTNKS
SCHEMBL1687975 0.72 ALOX5 (0.69) ALOX5PARP14F9PRKDCTNKS
SCHEMBL17827359 0.72 ALOX5 (0.69) ALOX5PARP14F9PRKDCTNKS
SCHEMBL29511967 0.72 ALOX5 (0.69) ALOX5PARP14F9PRKDCTNKS

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
EP-3119767-B1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2019-07-10 EP disclosed