SCHEMBL18201527

SCHEMBL18201527

c1cc(Nc2cccc3c2oc2ccccc23)cc(-c2cccc3c2sc2ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.45
PARP14 Q460N5 1/20 0.40
PRKDC P78527 4/20 0.40
PTGES2 Q9H7Z7 1/20 0.39
PIK3CD O00329 2/20 0.36
PIK3CB P42338 2/20 0.36
BRD4 O60885 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
KCNH2 Q12809 1/20 0.36
BRDT Q58F21 1/20 0.36
GGPS1 O95749 1/20 0.35
EPHX2 P34913 1/20 0.34
AKR1C3 P42330 1/20 0.34
MAPT P10636 2/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL21615059 0.88 ALOX5 (0.46) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL23313544 0.87 PARP14 (0.40) ALOX5PARP14PRKDCPTGES2PIK3CD
SCHEMBL23314036 0.87 PARP14 (0.40) ALOX5PARP14PRKDCPTGES2PIK3CD
SCHEMBL21839439 0.84 EPHX2 (0.38) ALOX5PTGES2EPHX2AKR1C3MAPT
SCHEMBL17167403 0.82 ALOX5 (0.52) ALOX5PARP14PRKDCPTGES2PIK3CD
SCHEMBL27383945 0.82 ALOX5 (0.52) ALOX5PARP14PRKDCMAPTALDH1A1
SCHEMBL15855430 0.82 ALOX5 (0.52) ALOX5PARP14PRKDCPTGES2PIK3CD
SCHEMBL20312824 0.82 PTGIR (0.44) ALOX5MAPTALDH1A1POLBHPGD
SCHEMBL23314012 0.82 ALOX5 (0.40) ALOX5PARP14PRKDCPTGES2PIK3CD
SCHEMBL25636193 0.81 FADS1 (0.46) ALOX5PTGES2GGPS1EPHX2AKR1C3

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-2016175533-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-11-03 WO disclosed