SCHEMBL18201531

SCHEMBL18201531

c1ccc(Nc2cccc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
TDO2 P48775 3/20 0.43
PARP14 Q460N5 1/20 0.42
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
AR P10275 1/20 0.41
IDO1 P14902 3/20 0.40
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PRKDC P78527 2/20 0.39
EGFR P00533 1/20 0.38
EPHX2 P34913 1/20 0.38
F9 P00740 1/20 0.36
FLT1 P17948 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 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
SCHEMBL2516560 0.97 ALOX5 (0.57) ALOX5TDO2PARP14MEN1MAPT
SCHEMBL27383948 0.93 ALOX5 (0.53) ALOX5TDO2PARP14MEN1MAPT
SCHEMBL24890121 0.93 ALOX5 (0.57) ALOX5TDO2PARP14MEN1MAPT
SCHEMBL17382508 0.92 ALOX5 (0.56) ALOX5TDO2PARP14MEN1MAPT
SCHEMBL17382556 0.92 ALOX5 (0.58) ALOX5TDO2PARP14IDO1TNKS
SCHEMBL23765030 0.92 ALOX5 (0.51) ALOX5TDO2PARP14MEN1MAPT
SCHEMBL17660865 0.89 ALOX5 (0.52) ALOX5TDO2PARP14MEN1MAPT
SCHEMBL23168659 0.87 ALOX5 (0.46) ALOX5TDO2PARP14MEN1MAPT
SCHEMBL29892311 0.87 ALOX5 (0.65) ALOX5PARP14MAPTTNKSTNKS2
SCHEMBL25680432 0.87 ALOX5 (0.65) ALOX5PARP14MAPTTNKSTNKS2

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