SCHEMBL25089168

SCHEMBL25089168

c1cc(-c2cccc3c2ccc2ccccc23)cc(N(c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)c2ccc3c(c2)sc2ccccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 8/20 0.39
▸ S1PR4 O95977 6/20 0.39
▸ F9 P00740 2/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ MCL1 Q07820 2/20 0.32
▸ ACMSD Q8TDX5 1/20 0.32
▸ GSTP1 P09211 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 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
SCHEMBL25089169 0.99 S1PR5 (0.38) S1PR5S1PR4F9ALOX5CA12
SCHEMBL25089166 0.97 F9 (0.35) S1PR5S1PR4F9ALOX5CA12
SCHEMBL29303492 0.96 S1PR5 (0.39) S1PR5S1PR4F9ALOX5CA12
SCHEMBL24919769 0.94 CA12 (0.37) S1PR5S1PR4F9ALOX5CA12
SCHEMBL25137805 0.94 S1PR5 (0.39) S1PR5S1PR4F9ALOX5CA12
SCHEMBL24471693 0.94 CA12 (0.39) S1PR5S1PR4F9ALOX5CA12
SCHEMBL25534373 0.94 S1PR5 (0.39) S1PR5S1PR4F9ALOX5CA12
SCHEMBL25137705 0.94 S1PR5 (0.39) S1PR5S1PR4F9ALOX5CA12
SCHEMBL25089173 0.94 CA12 (0.37) S1PR5S1PR4F9ALOX5CA12
SCHEMBL25137888 0.94 S1PR5 (0.39) S1PR5S1PR4F9ALOX5CA12

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-2023027173-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-03-02 — — WO disclosed
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