SCHEMBL25089171

SCHEMBL25089171

c1cc(-c2cccc3c2ccc2ccccc23)cc(N(c2ccc(-c3cccc4c3ccc3ccccc34)cc2)c2ccc3c(c2)sc2ccccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 1/20 0.40
▸ ALOX5 P09917 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MCL1 Q07820 1/20 0.34
▸ ACMSD Q8TDX5 1/20 0.34
▸ S1PR5 Q9H228 7/20 0.34
▸ S1PR4 O95977 6/20 0.34
▸ CA12 O43570 3/20 0.34
▸ CA1 P00915 3/20 0.34
▸ CA2 P00918 3/20 0.34
▸ CA9 Q16790 3/20 0.34
▸ GPR3 P46089 1/20 0.33
▸ HPRT1 P00492 1/20 0.33
▸ CYP1A1 P04798 2/20 0.33
▸ CYP1B1 Q16678 2/20 0.33
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL25089174 0.98 F9 (0.38) F9ALOX5ALDH1A1MAPTHPGD
SCHEMBL25089172 0.95 F9 (0.39) F9ALOX5ALDH1A1MAPTHPGD
SCHEMBL26063543 0.95 F9 (0.41) F9ALOX5ALDH1A1MAPTHPGD
SCHEMBL25089389 0.95 F9 (0.40) F9ALOX5ALDH1A1MAPTHPGD
SCHEMBL25089166 0.94 F9 (0.35) F9ALOX5ALDH1A1MAPTHPGD
SCHEMBL23448048 0.94 F9 (0.38) F9ALOX5ALDH1A1MAPTHPGD
SCHEMBL24839056 0.94 F9 (0.38) F9ALOX5ALDH1A1MAPTHPGD
SCHEMBL25089173 0.94 CA12 (0.37) F9ALOX5ALDH1A1MAPTHPGD
SCHEMBL26063638 0.94 F9 (0.43) F9ALOX5ALDH1A1MAPTHPGD
SCHEMBL25089168 0.93 S1PR5 (0.39) F9ALOX5ALDH1A1MAPTHPGD

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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