SCHEMBL31258313

SCHEMBL31258313

Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=c2ccnc(-c3ccccn3)c2=Cc2ccccc2)c(C)c1.Cl[Ru]Cl

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MCL1 Q07820 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
SCHEMBL29008410 0.80 KDM4E (0.33) KDM4ENPC1
SCHEMBL2045884 0.74 MEN1 (0.30)
Hydrochloric Acid SCHEMBL2045882 0.69 MEN1 (0.32) NPC1
SCHEMBL13238426 0.66 MAPT (0.39) NPC1
Pyridine SCHEMBL920961 0.63 CRHR1 (0.33) NPC1
Hydrochloric Acid SCHEMBL3670743 0.63 CRHR1 (0.33) NPC1
SCHEMBL28059372 0.61 TACR1 (0.33) NPC1
SCHEMBL2882672 0.60 ALDH1A1 (0.33) KDM4ENPC1
Hydrochloric Acid SCHEMBL3670747 0.59 ALDH1A1 (0.32) KDM4ENPC1
SCHEMBL23216998 0.59 CRHR1 (0.30)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119101214-A Cycloolefin metathesis composition and polymerization method thereof 道生天合材料科技(上海)股份有限公司 2024-12-10 CN claimed
CN-119101214-A Cycloolefin metathesis composition and polymerization method thereof 道生天合材料科技(上海)股份有限公司 2024-12-10 CN disclosed