SCHEMBL13037320

SCHEMBL13037320

Cc1ccc(CN(CCCNCc2ccc3c(c2)OCO3)c2nc(-n3ccnc3)ns2)cc1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.86
NOS1 P29475 17/20 0.86

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
SCHEMBL3561018 0.92 NOS2 (1.00) NOS2NOS1
SCHEMBL3570569 0.92 NOS2 (1.00) NOS2NOS1
SCHEMBL3563680 0.92 NOS2 (0.82) NOS2NOS1
SCHEMBL3567371 0.90 NOS2 (1.00) NOS2NOS1
SCHEMBL3570547 0.89 NOS2 (1.00) NOS2NOS1
SCHEMBL14532101 0.89 NOS2 (0.83) NOS2NOS1
SCHEMBL3566224 0.88 NOS2 (1.00) NOS2NOS1
Kd7040 SCHEMBL3560291 0.88 NOS2 (1.00) NOS2NOS1
Kd7040 SCHEMBL29941612 0.88 NOS2 (1.00) NOS2NOS1
SCHEMBL3570852 0.87 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