SCHEMBL25878937

SCHEMBL25878937

c1ccc(-c2ccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccc4ccc5sc6ccccc6c5c4c3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.34
▸ CCND1 P24385 2/20 0.34
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ F9 P00740 2/20 0.34
▸ S1PR5 Q9H228 9/20 0.33
▸ S1PR4 O95977 8/20 0.33
▸ ESR1 P03372 3/20 0.33
▸ ESR2 Q92731 3/20 0.33
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ APP P05067 1/20 0.31
▸ ACMSD Q8TDX5 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
SCHEMBL25879151 1.00 CDK4 (0.34) CDK4CCND1HSD17B1HSD17B2F9
SCHEMBL25878942 0.98 CDK4 (0.37) CDK4CCND1HSD17B1HSD17B2F9
SCHEMBL25879155 0.98 CDK4 (0.37) CDK4CCND1HSD17B1HSD17B2F9
SCHEMBL25879149 0.96 F9 (0.36) CDK4CCND1HSD17B1HSD17B2F9
SCHEMBL25879238 0.95 CDK4 (0.37) CDK4CCND1HSD17B1HSD17B2F9
SCHEMBL25879235 0.95 CDK4 (0.33) CDK4CCND1HSD17B1HSD17B2F9
SCHEMBL25879012 0.95 CDK4 (0.37) CDK4CCND1F9ESR1ESR2
SCHEMBL25878926 0.95 CDK4 (0.37) CDK4CCND1F9ESR1ESR2
SCHEMBL25879097 0.95 CDK4 (0.37) CDK4CCND1F9ESR1ESR2
SCHEMBL25881816 0.94 HSD17B1 (0.35) CDK4CCND1HSD17B1HSD17B2F9

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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