SCHEMBL25879239

SCHEMBL25879239

c1ccc(-c2ccccc2N(c2ccc(-c3ccc4ccc5sc6ccccc6c5c4c3)cc2)c2ccc3ccccc3c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ S1PR5 Q9H228 4/20 0.31
▸ S1PR4 O95977 3/20 0.31
▸ PIM3 Q86V86 1/20 0.31
▸ F9 P00740 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 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
SCHEMBL25879228 0.97 S1PR5 (0.34) CDK4CCND1S1PR5S1PR4PIM3
SCHEMBL25879225 0.96 S1PR5 (0.33) CDK4CCND1S1PR5S1PR4F9
SCHEMBL25879020 0.95 S1PR5 (0.36) CDK4CCND1S1PR5S1PR4PIM3
SCHEMBL25879162 0.95 CDK4 (0.35) CDK4CCND1PIM3F9CA12
SCHEMBL25879158 0.95 CDK4 (0.35) CDK4CCND1PIM3F9CA12
SCHEMBL25879014 0.95 CDK4 (0.35) CDK4CCND1PIM3F9CA12
SCHEMBL25879236 0.94 F9 (0.33) CDK4CCND1S1PR5S1PR4F9
SCHEMBL24657590 0.93 F9 (0.32) CDK4CCND1F9
SCHEMBL25879018 0.93 S1PR5 (0.36) S1PR5S1PR4F9
SCHEMBL25879156 0.92 F9 (0.34) CDK4CCND1F9

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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