SCHEMBL25880365

SCHEMBL25880365

c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3cc4ccccc4c4c3sc3ccccc34)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 3/20 0.34
▸ S1PR5 Q9H228 9/20 0.34
▸ S1PR4 O95977 6/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ NQO1 P15559 1/20 0.32
▸ NQO2 P16083 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ TNKS O95271 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ GSTP1 P09211 1/20 0.31
▸ APP P05067 1/20 0.30
▸ HSD17B1 P14061 1/20 0.30
▸ HSD17B2 P37059 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 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
SCHEMBL25881002 0.96 S1PR5 (0.34) GPR84S1PR5S1PR4ESR1ESR2
SCHEMBL25881165 0.93 S1PR4 (0.32) GPR84S1PR5S1PR4NQO1NQO2
SCHEMBL25881157 0.93 GPR84 (0.36) GPR84NQO1NQO2ALOX5TNKS
SCHEMBL25880739 0.92 ALOX5 (0.34) GPR84NQO1NQO2ALOX5TNKS
SCHEMBL25880589 0.92 GPR84 (0.36) GPR84NQO1NQO2ALOX5TNKS
SCHEMBL25881009 0.91 ALOX5 (0.34) GPR84ALOX5TNKSTNKS2APP
SCHEMBL25880380 0.88 CYP11B1 (0.33) GPR84ALOX5TNKSTNKS2APP
SCHEMBL24889256 0.87 S1PR5 (0.34) GPR84S1PR5S1PR4ESR1ESR2
SCHEMBL24887985 0.87 S1PR5 (0.34) GPR84S1PR5S1PR4ESR1ESR2
SCHEMBL25880851 0.87 CA12 (0.38) GPR84ALOX5TNKSTNKS2HSD17B1

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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