SCHEMBL2764680

SCHEMBL2764680

Cc1cc(C(C)C)nn1C(n1nc(C(C)C)cc1C)n1nc(C(C)C)cc1C.Cl[Mn]Cl

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 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
Butadiene SCHEMBL2767230 0.81
SCHEMBL2766314 0.80 ALDH1A1 (0.31)
SCHEMBL2764555 0.79 ALDH1A1 (0.39)
SCHEMBL12419716 0.79 NOS3 (0.34) NOS3NOS1NOS2
SCHEMBL2765078 0.73 KDM4E (0.33)
SCHEMBL2766631 0.73
SCHEMBL22427784 0.72 NOS3 (0.35) NOS3NOS1NOS2
SCHEMBL2456612 0.70 ALDH1A1 (0.34) NOS3NOS1NOS2
SCHEMBL27890725 0.70 NOS3 (0.34) NOS3NOS1NOS2
SCHEMBL2766524 0.69 RAB9A (0.44)

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
EP-1266911-B1 Catalyst for addition polymerization and process for producing an addition polymer SUMITOMO CHEMICAL CO (JP) 2010-04-14 EP disclosed
EP-1266911-A1 Catalyst for addition polymerization and process for producing an addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-18 EP disclosed