SCHEMBL25881002

SCHEMBL25881002

c1ccc(-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cc5ccccc5c5c4sc4ccccc45)cc3)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 8/20 0.34
▸ S1PR4 O95977 6/20 0.34
▸ HSD17B1 P14061 2/20 0.33
▸ HSD17B2 P37059 2/20 0.33
▸ GPR84 Q9NQS5 3/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ TNKS O95271 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ ESR1 P03372 2/20 0.31
▸ ESR2 Q92731 2/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CCND1 P24385 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ HCRTR1 O43613 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL25881165 0.98 S1PR4 (0.32) S1PR5S1PR4HSD17B1HSD17B2GPR84
SCHEMBL25881009 0.96 ALOX5 (0.34) HSD17B1HSD17B2GPR84ALOX5TNKS
SCHEMBL25880365 0.96 GPR84 (0.34) S1PR5S1PR4HSD17B1HSD17B2GPR84
SCHEMBL25880380 0.93 CYP11B1 (0.33) HSD17B1HSD17B2GPR84ALOX5TNKS
SCHEMBL25880739 0.92 ALOX5 (0.34) HSD17B1HSD17B2GPR84ALOX5TNKS
SCHEMBL24887985 0.92 S1PR5 (0.34) S1PR5S1PR4HSD17B1HSD17B2GPR84
SCHEMBL25880851 0.92 CA12 (0.38) HSD17B1HSD17B2GPR84ALOX5TNKS
SCHEMBL24889256 0.92 S1PR5 (0.34) S1PR5S1PR4HSD17B1HSD17B2GPR84
SCHEMBL25880999 0.90 HSD17B1 (0.33) S1PR5S1PR4HSD17B1HSD17B2GPR84
SCHEMBL25880595 0.90 HSD17B1 (0.33) S1PR5S1PR4HSD17B1HSD17B2GPR84

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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