SCHEMBL13037294

SCHEMBL13037294

Cc1ccc(CNCCCN(C)c2nc(-n3ccnc3)ns2)cc1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.80
NOS1 P29475 15/20 0.71

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
SCHEMBL3562106 0.92 NOS2 (0.80) NOS2NOS1
SCHEMBL3556118 0.91 NOS2 (0.79) NOS2NOS1
SCHEMBL3567859 0.91 NOS2 (0.79) NOS2NOS1
SCHEMBL13037300 0.89 NOS2 (0.75) NOS2NOS1
SCHEMBL3562730 0.89 NOS2 (1.00) NOS2NOS1
SCHEMBL3566179 0.89 NOS2 (0.76) NOS2NOS1
SCHEMBL14529946 0.86 NOS2 (0.74) NOS2NOS1
SCHEMBL3566838 0.86 NOS2 (0.74) NOS2NOS1
SCHEMBL3562304 0.85 NOS2 (1.00) NOS2NOS1
SCHEMBL3561841 0.83 NOS2 (1.00) 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