SCHEMBL24749474

SCHEMBL24749474

c1ccc(-c2ccc(N(c3cc(-c4cccc5ccccc45)ccc3-c3ccccc3)c3ccccc3-c3cccc4c3sc3ccccc34)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
F9 P00740 1/20 0.36
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
PARP14 Q460N5 1/20 0.34
MCL1 Q07820 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
PRKDC P78527 6/20 0.32
S1PR4 O95977 3/20 0.31
S1PR5 Q9H228 3/20 0.31
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
SLC9A1 P19634 1/20 0.31
PIK3CD O00329 2/20 0.31
PIK3CB P42338 2/20 0.31
BRD4 O60885 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31

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
SCHEMBL24749117 1.00 ALOX5 (0.43) ALOX5F9CA12CA1CA2
SCHEMBL24749120 1.00 ALOX5 (0.43) ALOX5F9CA12CA1CA2
SCHEMBL24749113 0.97 ALOX5 (0.44) ALOX5F9CA12CA1CA2
SCHEMBL24749116 0.96 ALOX5 (0.40) ALOX5F9CA12CA1CA2
SCHEMBL24748728 0.96 ALOX5 (0.47) ALOX5F9CA12CA1CA2
SCHEMBL24749118 0.95 ALOX5 (0.39) ALOX5F9CA12CA1CA2
SCHEMBL24963959 0.95 ALOX5 (0.44) ALOX5F9CA12CA1CA2
SCHEMBL23238185 0.95 ALOX5 (0.45) ALOX5F9CA12CA1CA2
SCHEMBL24965143 0.95 ALOX5 (0.41) ALOX5F9CA12CA1CA2
SCHEMBL24965483 0.95 ALOX5 (0.41) ALOX5F9CA12CA1CA2

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