SCHEMBL25879449

SCHEMBL25879449

c1ccc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc4c(ccc5sc6ccccc6c54)c3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 2/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ ACMSD Q8TDX5 1/20 0.36
▸ S1PR5 Q9H228 8/20 0.34
▸ S1PR4 O95977 6/20 0.34
▸ CA12 O43570 3/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ NQO1 P15559 1/20 0.32
▸ NQO2 P16083 1/20 0.32
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ CHRNA1 P02708 1/20 0.30
▸ CHRNG P07510 1/20 0.30
▸ CHRNB1 P11230 1/20 0.30
▸ CHRNB2 P17787 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
SCHEMBL25879721 0.97 F9 (0.38) F9MCL1ACMSDS1PR5S1PR4
SCHEMBL25879454 0.97 F9 (0.36) F9MCL1ACMSDS1PR5S1PR4
SCHEMBL25879719 0.96 F9 (0.40) F9MCL1ACMSDS1PR5S1PR4
SCHEMBL25879726 0.95 F9 (0.38) F9MCL1ACMSDS1PR5S1PR4
SCHEMBL25879380 0.95 F9 (0.38) F9MCL1ACMSDS1PR5S1PR4
SCHEMBL25878934 0.94 MCL1 (0.38) F9MCL1ACMSDS1PR5S1PR4
SCHEMBL25883617 0.94 CDK4 (0.34) F9S1PR5S1PR4CDK4CCND1
SCHEMBL24472224 0.93 MCL1 (0.37) F9MCL1ACMSDS1PR5S1PR4
SCHEMBL25878938 0.93 MCL1 (0.37) F9MCL1ACMSDS1PR5S1PR4
SCHEMBL25881510 0.93 MCL1 (0.37) F9MCL1ACMSDS1PR5S1PR4

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-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 — — WO disclosed
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