SCHEMBL25879155

SCHEMBL25879155

c1ccc(-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5ccc6sc7ccccc7c6c5c4)cc3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.37
▸ CCND1 P24385 2/20 0.37
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ F9 P00740 2/20 0.34
▸ S1PR5 Q9H228 8/20 0.33
▸ S1PR4 O95977 7/20 0.33
▸ ESR1 P03372 3/20 0.33
▸ ESR2 Q92731 3/20 0.33
▸ LIMK1 P53667 1/20 0.32
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ PIM3 Q86V86 1/20 0.31
▸ APP P05067 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
SCHEMBL25878942 1.00 CDK4 (0.37) CDK4CCND1HSD17B1HSD17B2F9
SCHEMBL25879151 0.98 CDK4 (0.34) CDK4CCND1HSD17B1HSD17B2F9
SCHEMBL25878937 0.98 CDK4 (0.34) CDK4CCND1HSD17B1HSD17B2F9
SCHEMBL25879238 0.98 CDK4 (0.37) CDK4CCND1HSD17B1HSD17B2F9
SCHEMBL25879154 0.95 CDK4 (0.37) CDK4CCND1HSD17B1HSD17B2F9
SCHEMBL25879016 0.95 CDK4 (0.40) CDK4CCND1F9ESR1ESR2
SCHEMBL25878771 0.95 ESR1 (0.36) CDK4CCND1F9S1PR5S1PR4
SCHEMBL25878933 0.95 CDK4 (0.40) CDK4CCND1F9ESR1ESR2
SCHEMBL25879104 0.95 CDK4 (0.40) CDK4CCND1F9ESR1ESR2
SCHEMBL25879237 0.94 CDK4 (0.34) CDK4CCND1F9S1PR5S1PR4

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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