SCHEMBL16631100

SCHEMBL16631100

c1ccc(-c2ccc(N(c3ccccc3)c3cccc(C4(c5cccc6c5sc5ccccc56)c5ccccc5-c5ccccc54)c3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP14 Q460N5 1/20 0.31
PIM3 Q86V86 1/20 0.30
APP P05067 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
SCHEMBL16631093 0.94 ALOX5 (0.38) ALOX5TNKSTNKS2PARP14
SCHEMBL18118710 0.94 ALOX5 (0.38) ALOX5TNKSTNKS2
SCHEMBL18118694 0.93 ALOX5 (0.39) ALOX5TNKSTNKS2PARP14
SCHEMBL16631155 0.92 ALOX5 (0.35) ALOX5
SCHEMBL18326070 0.92 ALOX5 (0.43) ALOX5TNKSTNKS2PARP14F9
SCHEMBL18326078 0.92 ALOX5 (0.43) ALOX5TNKSTNKS2PARP14F9
SCHEMBL17816771 0.91 ALOX5 (0.42) ALOX5TNKSTNKS2PARP14F9
SCHEMBL16631166 0.90 ALOX5 (0.36) ALOX5TNKSTNKS2PARP14
SCHEMBL23098678 0.90 ALOX5 (0.35) ALOX5PIM3
SCHEMBL23098818 0.90 ALOX5 (0.35) ALOX5

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