SCHEMBL3562977

SCHEMBL3562977

CN(CCCN(C(=O)OC(C)(C)C)C(C1=COCO1)c1ccccc1)c1nc(-n2ccnc2)ns1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.46
NOS1 P29475 15/20 0.44

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
SCHEMBL3563392 0.75 NOS2 (0.48) NOS2NOS1
SCHEMBL3566344 0.72 NOS2 (0.63) NOS2NOS1
SCHEMBL3567894 0.72 NOS2 (0.56) NOS2NOS1
SCHEMBL3556926 0.71 NOS2 (0.46) NOS2NOS1
SCHEMBL3566903 0.70 NOS2 (0.50) NOS2NOS1
SCHEMBL3614975 0.70 NOS2 (0.45) NOS2NOS1
SCHEMBL3565893 0.70 NOS2 (0.59) NOS2NOS1
SCHEMBL14529945 0.69 NOS2 (0.48) NOS2NOS1
SCHEMBL4989090 0.68 NOS2 (0.45) NOS2NOS1
SCHEMBL3558783 0.68 NOS2 (0.59) NOS2NOS1

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
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed