SCHEMBL25879149

SCHEMBL25879149

c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4ccc5sc6ccccc6c5c4c3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 2/20 0.36
▸ ESR1 P03372 3/20 0.35
▸ ESR2 Q92731 3/20 0.35
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ S1PR5 Q9H228 7/20 0.33
▸ S1PR4 O95977 6/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ ACMSD Q8TDX5 1/20 0.33
▸ CYP17A1 P05093 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ BACE1 P56817 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ LIMK1 P53667 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
SCHEMBL25878937 0.96 CDK4 (0.34) F9ESR1ESR2CDK4CCND1
SCHEMBL25879151 0.96 CDK4 (0.34) F9ESR1ESR2CDK4CCND1
SCHEMBL25878923 0.96 CDK4 (0.32) F9CDK4CCND1S1PR5S1PR4
SCHEMBL25879154 0.96 CDK4 (0.37) F9ESR1ESR2CDK4CCND1
SCHEMBL25878929 0.95 CDK4 (0.36) F9ESR1ESR2CDK4CCND1
SCHEMBL25879155 0.94 CDK4 (0.37) F9ESR1ESR2CDK4CCND1
SCHEMBL25878942 0.94 CDK4 (0.37) F9ESR1ESR2CDK4CCND1
SCHEMBL25878771 0.94 ESR1 (0.36) F9ESR1ESR2CDK4CCND1
SCHEMBL25878925 0.94 GPR3 (0.35) F9ESR1ESR2CDK4CCND1
SCHEMBL25878766 0.92 GPR3 (0.34) F9ESR1ESR2CDK4CCND1

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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