SCHEMBL25879448

SCHEMBL25879448

c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6sc7ccccc7c65)c4)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 2/20 0.36
▸ ESR1 P03372 4/20 0.34
▸ ESR2 Q92731 4/20 0.34
▸ HSD17B1 P14061 2/20 0.33
▸ HSD17B2 P37059 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2B6 P20813 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ APP P05067 1/20 0.33
▸ CDK4 P11802 3/20 0.32
▸ CCND1 P24385 3/20 0.32
▸ GPR84 Q9NQS5 1/20 0.32
▸ BACE1 P56817 1/20 0.31
▸ LIMK1 P53667 1/20 0.31
▸ GPR3 P46089 1/20 0.31
▸ NQO1 P15559 1/20 0.31
▸ NQO2 P16083 1/20 0.31

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
SCHEMBL25879737 1.00 F9 (0.36) F9ESR1ESR2HSD17B1HSD17B2
SCHEMBL25879530 1.00 F9 (0.36) F9ESR1ESR2HSD17B1HSD17B2
SCHEMBL25879918 1.00 F9 (0.36) F9ESR1ESR2HSD17B1HSD17B2
SCHEMBL25879445 0.98 F9 (0.33) F9ESR1ESR2HSD17B1HSD17B2
SCHEMBL25879522 0.98 F9 (0.33) F9ESR1ESR2HSD17B1HSD17B2
SCHEMBL25879915 0.98 F9 (0.33) F9ESR1ESR2HSD17B1HSD17B2
SCHEMBL25879731 0.98 F9 (0.33) F9ESR1ESR2HSD17B1HSD17B2
SCHEMBL25879913 0.96 HSD17B1 (0.34) F9ESR1ESR2HSD17B1HSD17B2
SCHEMBL25879532 0.96 F9 (0.36) F9ESR1ESR2HSD17B1HSD17B2
SCHEMBL25879381 0.96 F9 (0.38) F9ESR1ESR2HSD17B1HSD17B2

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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