SCHEMBL25879734

SCHEMBL25879734

c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(ccc6sc7ccccc7c65)c4)cc3)c(-c3ccccc3)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ F9 P00740 3/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ PIM3 Q86V86 1/20 0.31
▸ PTPN1 P18031 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
SCHEMBL25879729 0.97 HSD17B1 (0.31) HSD17B1HSD17B2F9PIM3PTPN1
SCHEMBL25879919 0.92 F9 (0.34) HSD17B1HSD17B2F9ESR1ESR2
SCHEMBL25879529 0.92 F9 (0.34) HSD17B1HSD17B2F9ESR1ESR2
SCHEMBL25879917 0.92 F9 (0.34) HSD17B1HSD17B2F9ESR1ESR2
SCHEMBL25879099 0.92 CDK4 (0.34) F9PIM3PTPN1
SCHEMBL25881735 0.91 F9 (0.33) HSD17B1HSD17B2F9
SCHEMBL25879094 0.91 CDK4 (0.32) F9PIM3PTPN1
SCHEMBL25879735 0.91 F9 (0.33) HSD17B1HSD17B2F9ESR1ESR2
SCHEMBL25879723 0.90 F9 (0.35) HSD17B1HSD17B2F9ESR1ESR2
SCHEMBL25879381 0.90 F9 (0.38) HSD17B1HSD17B2F9ESR1ESR2

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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