SCHEMBL24748973

SCHEMBL24748973

c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3c2sc2ccccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
S1PR5 Q9H228 8/20 0.34
S1PR4 O95977 6/20 0.34
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
F9 P00740 2/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
ESR1 P03372 3/20 0.31
ESR2 Q92731 3/20 0.31
LIMK1 P53667 1/20 0.31
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 1/20 0.30
PIM3 Q86V86 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
SCHEMBL24749913 1.00 ALOX5 (0.37) ALOX5S1PR5S1PR4HSD17B1HSD17B2
SCHEMBL24748360 0.99 ALOX5 (0.36) ALOX5S1PR5S1PR4HSD17B1HSD17B2
SCHEMBL24748362 0.97 ALOX5 (0.35) ALOX5S1PR5S1PR4HSD17B1HSD17B2
SCHEMBL24749957 0.96 ALOX5 (0.34) ALOX5S1PR5S1PR4HSD17B1HSD17B2
SCHEMBL24748990 0.96 ALOX5 (0.43) ALOX5S1PR5S1PR4HSD17B1HSD17B2
SCHEMBL24747623 0.95 ALOX5 (0.38) ALOX5S1PR5S1PR4F9
SCHEMBL24748365 0.95 F9 (0.37) ALOX5S1PR5S1PR4HSD17B1HSD17B2
SCHEMBL24749828 0.94 ALOX5 (0.35) ALOX5S1PR5S1PR4HSD17B1HSD17B2
SCHEMBL24747670 0.94 ALOX5 (0.38) ALOX5S1PR5S1PR4F9
SCHEMBL24841744 0.94 ALOX5 (0.39) ALOX5S1PR5S1PR4HSD17B1HSD17B2

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