SCHEMBL16631093

SCHEMBL16631093

c1ccc(N(c2ccccc2)c2cccc(C3(c4cccc5c4sc4ccccc45)c4ccccc4-c4ccccc43)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
PARP14 Q460N5 1/20 0.33
GPR3 P46089 1/20 0.31
PRKDC P78527 1/20 0.31
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL16631100 0.94 ALOX5 (0.39) ALOX5PARP14TNKSTNKS2
SCHEMBL18118731 0.92 ALOX5 (0.36) ALOX5PARP14
SCHEMBL20089063 0.91 ALOX5 (0.35) ALOX5PARP14
SCHEMBL16631107 0.90 ALOX5 (0.36) ALOX5PARP14GPR3
SCHEMBL23098814 0.89 ALOX5 (0.32) ALOX5
SCHEMBL23098675 0.89 ALOX5 (0.32) ALOX5
SCHEMBL16631166 0.89 ALOX5 (0.36) ALOX5PARP14TNKSTNKS2
SCHEMBL16631155 0.89 ALOX5 (0.35) ALOX5
SCHEMBL18118710 0.88 ALOX5 (0.38) ALOX5TNKSTNKS2
SCHEMBL22403619 0.88 ALOX5 (0.34) ALOX5PARP14

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-2015050391-A1 AN ORGANIC ELECTROLUMINESCENT COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-04-09 WO disclosed