SCHEMBL25879020

SCHEMBL25879020

c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6sc7ccccc7c6c5c4)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
▸ CDK4 P11802 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ F9 P00740 2/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ ESR1 P03372 2/20 0.31
▸ ESR2 Q92731 2/20 0.31
▸ GSTP1 P09211 1/20 0.31
▸ GPR84 Q9NQS5 1/20 0.30
▸ 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
SCHEMBL25879228 0.98 S1PR5 (0.34) S1PR5S1PR4CDK4CCND1F9
SCHEMBL25879018 0.96 S1PR5 (0.36) S1PR5S1PR4F9GSTP1GPR84
SCHEMBL25879239 0.95 CDK4 (0.32) S1PR5S1PR4CDK4CCND1F9
SCHEMBL25879225 0.95 S1PR5 (0.33) S1PR5S1PR4CDK4CCND1F9
SCHEMBL25879541 0.94 S1PR5 (0.36) S1PR5S1PR4F9ESR1ESR2
SCHEMBL25879158 0.93 CDK4 (0.35) CDK4CCND1F9PIM3LIMK1
SCHEMBL25879014 0.93 CDK4 (0.35) CDK4CCND1F9PIM3LIMK1
SCHEMBL25879162 0.93 CDK4 (0.35) CDK4CCND1F9PIM3LIMK1
SCHEMBL25879152 0.92 CA12 (0.38) S1PR5S1PR4CDK4CCND1F9
SCHEMBL25880058 0.92 S1PR5 (0.34) S1PR5S1PR4CDK4CCND1F9

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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