SCHEMBL24889256

SCHEMBL24889256

c1ccc(-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cc5ccccc5c5sc6ccccc6c45)cc3)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

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
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ ESR1 P03372 2/20 0.31
▸ ESR2 Q92731 2/20 0.31
▸ LIMK1 P53667 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
SCHEMBL24887985 1.00 S1PR5 (0.34) S1PR5S1PR4HSD17B1HSD17B2GPR84
SCHEMBL24887701 0.96 ALOX5 (0.34) HSD17B1HSD17B2GPR84CYP1A1CYP1B1
SCHEMBL24887629 0.96 ALOX5 (0.34) HSD17B1HSD17B2GPR84CYP1A1CYP1B1
SCHEMBL24759049 0.93 GPR84 (0.33) S1PR5S1PR4HSD17B1HSD17B2GPR84
SCHEMBL24952414 0.93 GPR84 (0.33) S1PR5S1PR4HSD17B1HSD17B2GPR84
SCHEMBL24887852 0.92 ALOX5 (0.34) HSD17B1HSD17B2GPR84CYP1A1CYP1B1
SCHEMBL25881002 0.92 S1PR5 (0.34) S1PR5S1PR4HSD17B1HSD17B2GPR84
SCHEMBL24887858 0.92 CA12 (0.38) HSD17B1HSD17B2GPR84CYP1A1CYP1B1
SCHEMBL24527262 0.91 LIMK1 (0.34) HSD17B1HSD17B2GPR84CYP1A1CYP1B1
SCHEMBL24888021 0.91 LIMK1 (0.34) HSD17B1HSD17B2GPR84CYP1A1CYP1B1

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-2023287228-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2023-01-19 — — WO disclosed
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