SCHEMBL5320100

SCHEMBL5320100

Cc1cc(C2=[N+](CCN(Cc3ccc4c(c3)OCO4)C(=O)OC(C)(C)C)C(=O)C=C2)nc(-n2ccnc2)n1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.49
NOS1 P29475 5/20 0.46

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
SCHEMBL3569313 0.79 NOS2 (0.65) NOS2NOS1
SCHEMBL3565871 0.78 NOS2 (0.57) NOS2NOS1
SCHEMBL3561656 0.78 NOS2 (0.72) NOS2NOS1
SCHEMBL3568767 0.78 NOS2 (0.74) NOS2NOS1
SCHEMBL3562711 0.77 NOS2 (0.71) NOS2NOS1
SCHEMBL13037192 0.77 NOS2 (0.47) NOS2NOS1
SCHEMBL3566884 0.76 NOS2 (0.68) NOS2NOS1
SCHEMBL4886393 0.75 NOS2 (0.68) NOS2NOS1
SCHEMBL3567935 0.75 NOS2 (0.57) NOS2NOS1
SCHEMBL3564686 0.74 NOS2 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817030-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS Kalypsys, Inc. (US) 2007-08-15 EP disclosed
WO-2006060424-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2006-06-08 WO disclosed