SCHEMBL25879529

SCHEMBL25879529

c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6sc7ccccc7c65)c4)cc3)c3ccccc3-c3ccccc3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 3/20 0.34
▸ CDK4 P11802 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ PIM3 Q86V86 1/20 0.31
▸ GPR84 Q9NQS5 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
SCHEMBL25879919 1.00 F9 (0.34) F9CDK4CCND1HSD17B1HSD17B2
SCHEMBL25879917 1.00 F9 (0.34) F9CDK4CCND1HSD17B1HSD17B2
SCHEMBL25880058 0.97 S1PR5 (0.34) F9CDK4CCND1HSD17B1HSD17B2
SCHEMBL25883735 0.96 F9 (0.32) F9CDK4CCND1HSD17B1HSD17B2
SCHEMBL25879914 0.95 F9 (0.33) F9CDK4CCND1
SCHEMBL25879521 0.95 F9 (0.33) F9CDK4CCND1
SCHEMBL25879916 0.95 F9 (0.33) F9CDK4CCND1
SCHEMBL25879390 0.95 HSD17B1 (0.32) F9HSD17B1HSD17B2GPR84
SCHEMBL25880070 0.95 S1PR5 (0.33) F9HSD17B1HSD17B2
SCHEMBL25879541 0.95 S1PR5 (0.36) F9HSD17B1HSD17B2ESR1ESR2

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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