SCHEMBL25878929

SCHEMBL25878929

c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6sc7ccccc7c6c5c4)cc3)c3ccc4ccccc4c3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.36
▸ CCND1 P24385 2/20 0.36
▸ F9 P00740 2/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ PIM3 Q86V86 2/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ ESR1 P03372 3/20 0.32
▸ ESR2 Q92731 3/20 0.32
▸ S1PR4 O95977 2/20 0.31
▸ S1PR5 Q9H228 2/20 0.31
▸ GPR3 P46089 1/20 0.31
▸ NQO1 P15559 1/20 0.31
▸ NQO2 P16083 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ PTGES O14684 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ HSD17B1 P14061 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
SCHEMBL25879237 0.98 CDK4 (0.34) CDK4CCND1F9LIMK1PIM3
SCHEMBL25879238 0.96 CDK4 (0.37) CDK4CCND1F9LIMK1PIM3
SCHEMBL25878923 0.96 CDK4 (0.32) CDK4CCND1F9S1PR4S1PR5
SCHEMBL25879154 0.96 CDK4 (0.37) CDK4CCND1F9LIMK1PIM3
SCHEMBL25879149 0.95 F9 (0.36) CDK4CCND1F9LIMK1ESR1
SCHEMBL25879155 0.94 CDK4 (0.37) CDK4CCND1F9LIMK1PIM3
SCHEMBL25878942 0.94 CDK4 (0.37) CDK4CCND1F9LIMK1PIM3
SCHEMBL25878771 0.94 ESR1 (0.36) CDK4CCND1F9LIMK1ESR1
SCHEMBL25878930 0.94 CDK4 (0.40) CDK4CCND1F9LIMK1PIM3
SCHEMBL25879230 0.92 CDK4 (0.39) CDK4CCND1F9LIMK1PIM3

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
Send feedback