SCHEMBL25879541

SCHEMBL25879541

c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6sc7ccccc7c65)c4)cc3)c3ccccc3-c3ccc4ccccc4c3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 10/20 0.36
▸ S1PR4 O95977 7/20 0.36
▸ GPR84 Q9NQS5 1/20 0.32
▸ F9 P00740 2/20 0.32
▸ ESR1 P03372 3/20 0.31
▸ ESR2 Q92731 3/20 0.31
▸ GSTP1 P09211 1/20 0.31
▸ HSD17B1 P14061 1/20 0.30
▸ HSD17B2 P37059 1/20 0.30
▸ NQO1 P15559 1/20 0.30
▸ NQO2 P16083 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
SCHEMBL25880058 0.98 S1PR5 (0.34) S1PR5S1PR4GPR84F9ESR1
SCHEMBL25879535 0.97 S1PR5 (0.35) S1PR5S1PR4GPR84GSTP1
SCHEMBL25880070 0.96 S1PR5 (0.33) S1PR5S1PR4F9HSD17B1HSD17B2
SCHEMBL25880053 0.96 S1PR5 (0.33) S1PR5S1PR4F9HSD17B1HSD17B2
SCHEMBL25879917 0.95 F9 (0.34) GPR84F9ESR1ESR2HSD17B1
SCHEMBL25879529 0.95 F9 (0.34) GPR84F9ESR1ESR2HSD17B1
SCHEMBL25879919 0.95 F9 (0.34) GPR84F9ESR1ESR2HSD17B1
SCHEMBL25879020 0.94 S1PR5 (0.36) S1PR5S1PR4GPR84F9ESR1
SCHEMBL25881152 0.93 S1PR5 (0.37) S1PR5S1PR4F9ESR1ESR2
SCHEMBL25879228 0.92 S1PR5 (0.34) S1PR5S1PR4F9ESR1ESR2

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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