SCHEMBL25879383

SCHEMBL25879383

c1ccc(N(c2ccc(-c3ccc4c(ccc5sc6ccccc6c54)c3)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 3/20 0.38
▸ CA12 O43570 3/20 0.37
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ CA9 Q16790 3/20 0.37
▸ S1PR5 Q9H228 7/20 0.35
▸ S1PR4 O95977 6/20 0.35
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ NQO1 P15559 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ ACMSD Q8TDX5 1/20 0.33
▸ CDK4 P11802 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL25879725 0.98 F9 (0.40) F9CA12CA1CA2CA9
SCHEMBL25879726 0.97 F9 (0.38) F9CA12CA1CA2CA9
SCHEMBL25879721 0.95 F9 (0.38) F9CA12CA1CA2CA9
SCHEMBL25879454 0.95 F9 (0.36) F9CA12CA1CA2CA9
SCHEMBL25879380 0.94 F9 (0.38) F9CA12CA1CA2CA9
SCHEMBL25883405 0.94 CA12 (0.36) F9CA12CA1CA2CA9
SCHEMBL25883518 0.94 CA12 (0.36) F9CA12CA1CA2CA9
SCHEMBL25879719 0.93 F9 (0.40) F9CA12CA1CA2CA9
SCHEMBL25878772 0.93 CA12 (0.38) F9CA12CA1CA2CA9
SCHEMBL25879723 0.92 F9 (0.35) F9S1PR5S1PR4HSD17B1HSD17B2

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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