SCHEMBL13074147

SCHEMBL13074147

Cc1cc(C2NCCC2c2nc(C3OC(C)O3)cs2)nc(-n2ccnc2)n1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.34
NOS1 P29475 4/20 0.34

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
SCHEMBL3558771 0.81 NOS2 (0.36) NOS2NOS1
SCHEMBL3558612 0.78 NOS2 (0.37) NOS2NOS1
SCHEMBL13074146 0.70 NOS2 (0.47) NOS2NOS1
SCHEMBL3571980 0.69 NOS2 (0.42) NOS2NOS1
SCHEMBL3566689 0.69 NOS2 (0.43) NOS2NOS1
SCHEMBL3562054 0.68 NOS2 (0.41) NOS2NOS1
SCHEMBL3559222 0.67 NOS2 (0.42) NOS2NOS1
SCHEMBL8276787 0.63 CHRM2 (0.38)
SCHEMBL8419000 0.63 CHRM2 (0.38)
SCHEMBL13037188 0.62 LMNA (0.50) NOS2

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