SCHEMBL24749865

SCHEMBL24749865

c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
S1PR5 Q9H228 13/20 0.36
S1PR4 O95977 10/20 0.36
PRKDC P78527 1/20 0.33
PARP14 Q460N5 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
F9 P00740 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL24749885 1.00 ALOX5 (0.44) ALOX5S1PR5S1PR4PRKDCPARP14
SCHEMBL24748367 1.00 ALOX5 (0.44) ALOX5S1PR5S1PR4PRKDCPARP14
SCHEMBL24748369 0.99 ALOX5 (0.44) ALOX5S1PR5S1PR4PRKDCPARP14
SCHEMBL24749881 0.98 ALOX5 (0.44) ALOX5S1PR5S1PR4PRKDCPARP14
SCHEMBL24748368 0.97 ALOX5 (0.42) ALOX5S1PR5S1PR4PRKDCPARP14
SCHEMBL24749882 0.96 ALOX5 (0.41) ALOX5S1PR5S1PR4PRKDCPARP14
SCHEMBL24751084 0.96 ALOX5 (0.44) ALOX5S1PR5S1PR4PRKDC
SCHEMBL24748686 0.96 ALOX5 (0.44) ALOX5S1PR5S1PR4PRKDCF9
SCHEMBL24751086 0.96 ALOX5 (0.44) ALOX5S1PR5S1PR4PRKDC
SCHEMBL24749860 0.96 ALOX5 (0.43) ALOX5S1PR5S1PR4PRKDCPARP14

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-2022259886-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE 出光興産株式会社 2022-12-15 WO disclosed