SCHEMBL25878923

SCHEMBL25878923

c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccc5sc6ccccc6c5c4c3)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ GPR3 P46089 1/20 0.32
▸ F9 P00740 2/20 0.32
▸ NQO1 P15559 1/20 0.32
▸ NQO2 P16083 1/20 0.32
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ S1PR4 O95977 2/20 0.31
▸ S1PR5 Q9H228 2/20 0.31
▸ PTGES O14684 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ DUSP3 P51452 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ PTPN5 P54829 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PTPN11 Q06124 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
SCHEMBL25878929 0.96 CDK4 (0.36) CDK4CCND1GPR3F9NQO1
SCHEMBL25879149 0.96 F9 (0.36) CDK4CCND1F9S1PR4S1PR5
SCHEMBL25878925 0.95 GPR3 (0.35) CDK4CCND1GPR3F9NQO1
SCHEMBL25879314 0.94 F9 (0.33) CDK4CCND1GPR3F9NQO1
SCHEMBL25879237 0.94 CDK4 (0.34) CDK4CCND1GPR3F9NQO1
SCHEMBL25879313 0.94 CYP1B1 (0.34) CDK4CCND1GPR3F9NQO1
SCHEMBL25879226 0.94 GPR3 (0.34) CDK4CCND1GPR3F9NQO1
SCHEMBL25878766 0.94 GPR3 (0.34) CDK4CCND1GPR3F9NQO1
SCHEMBL25879233 0.94 GPR3 (0.34) GPR3NQO1NQO2MEN1POLB
SCHEMBL25878937 0.93 CDK4 (0.34) CDK4CCND1F9CYP1A1CYP1B1

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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