SCHEMBL24748013

SCHEMBL24748013

c1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)c2cccc(-c3cccc4c3sc3ccccc34)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
MCL1 Q07820 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
F9 P00740 1/20 0.34
PRKDC P78527 1/20 0.33
PARP14 Q460N5 1/20 0.31
S1PR4 O95977 2/20 0.31
S1PR5 Q9H228 2/20 0.31
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 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
SCHEMBL24748004 0.98 ALOX5 (0.46) ALOX5CA12CA1CA2CA9
SCHEMBL24748005 0.97 ALOX5 (0.46) ALOX5CA12CA1CA2CA9
SCHEMBL24748679 0.97 ALOX5 (0.46) ALOX5CA12CA1CA2CA9
SCHEMBL24748838 0.96 ALOX5 (0.41) ALOX5CA12CA1CA2CA9
SCHEMBL24748010 0.96 ALOX5 (0.41) ALOX5CA12CA1CA2CA9
SCHEMBL24748012 0.96 ALOX5 (0.42) ALOX5CA12CA1CA2CA9
SCHEMBL24748847 0.95 ALOX5 (0.42) ALOX5CA12CA1CA2CA9
SCHEMBL23238881 0.95 ALOX5 (0.45) ALOX5CA12CA1CA2CA9
SCHEMBL24748672 0.95 ALOX5 (0.48) ALOX5CA12CA1CA2CA9
SCHEMBL24748722 0.95 ALOX5 (0.48) ALOX5CA12CA1CA2CA9

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