SCHEMBL24749882

SCHEMBL24749882

c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
F9 P00740 2/20 0.34
S1PR5 Q9H228 11/20 0.34
S1PR4 O95977 9/20 0.34
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
PRKDC P78527 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
PARP14 Q460N5 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
SCHEMBL24751089 0.96 ALOX5 (0.41) ALOX5F9S1PR5S1PR4HSD17B1
SCHEMBL24749865 0.96 ALOX5 (0.44) ALOX5F9S1PR5S1PR4HSD17B1
SCHEMBL24748367 0.96 ALOX5 (0.44) ALOX5F9S1PR5S1PR4HSD17B1
SCHEMBL24749885 0.96 ALOX5 (0.44) ALOX5F9S1PR5S1PR4HSD17B1
SCHEMBL24748780 0.95 ALOX5 (0.43) ALOX5F9S1PR5S1PR4HSD17B1
SCHEMBL24748369 0.95 ALOX5 (0.44) ALOX5F9S1PR5S1PR4HSD17B1
SCHEMBL24751222 0.94 ALOX5 (0.42) ALOX5F9S1PR5S1PR4HSD17B1
SCHEMBL24751058 0.94 ALOX5 (0.41) ALOX5S1PR5S1PR4HSD17B1HSD17B2
SCHEMBL24748686 0.94 ALOX5 (0.44) ALOX5F9S1PR5S1PR4PRKDC
SCHEMBL24749881 0.94 ALOX5 (0.44) ALOX5F9S1PR5S1PR4HSD17B1

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