SCHEMBL25879238

SCHEMBL25879238

c1ccc(-c2cccc(N(c3ccc(-c4ccc5ccc6sc7ccccc7c6c5c4)cc3)c3ccc4ccccc4c3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.37
▸ CCND1 P24385 2/20 0.37
▸ LIMK1 P53667 1/20 0.32
▸ F9 P00740 2/20 0.32
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ HSD17B1 P14061 1/20 0.31
▸ HSD17B2 P37059 1/20 0.31
▸ S1PR4 O95977 3/20 0.31
▸ S1PR5 Q9H228 3/20 0.31
▸ PIM3 Q86V86 2/20 0.31
▸ APP P05067 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 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
SCHEMBL25879155 0.98 CDK4 (0.37) CDK4CCND1LIMK1F9CYP1A1
SCHEMBL25878942 0.98 CDK4 (0.37) CDK4CCND1LIMK1F9CYP1A1
SCHEMBL25878929 0.96 CDK4 (0.36) CDK4CCND1LIMK1F9CYP1A1
SCHEMBL25879237 0.96 CDK4 (0.34) CDK4CCND1LIMK1F9S1PR4
SCHEMBL25878937 0.95 CDK4 (0.34) CDK4CCND1F9CYP1A1CYP1B1
SCHEMBL25879151 0.95 CDK4 (0.34) CDK4CCND1F9CYP1A1CYP1B1
SCHEMBL25879235 0.95 CDK4 (0.33) CDK4CCND1F9CYP1A1CYP1B1
SCHEMBL25879016 0.95 CDK4 (0.40) CDK4CCND1LIMK1F9CYP1A1
SCHEMBL25879104 0.95 CDK4 (0.40) CDK4CCND1LIMK1F9CYP1A1
SCHEMBL25878933 0.95 CDK4 (0.40) CDK4CCND1LIMK1F9CYP1A1

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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