SCHEMBL7422091

SCHEMBL7422091

CC(O)c1ccc2c(c1)N=C(N)c1sccc1C2

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.36
NOS3 P29474 6/20 0.36

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
SCHEMBL7375377 0.79 NOS2 (0.42) NOS2NOS3
SCHEMBL7401053 0.77 ALDH1A1 (0.36) NOS2NOS3
SCHEMBL7423582 0.76 NOS2 (0.41) NOS2NOS3
SCHEMBL7424315 0.76 NOS3 (0.36) NOS2NOS3
SCHEMBL7380703 0.75 NOS3 (0.37) NOS2NOS3
SCHEMBL7417662 0.74 NOS2 (0.41) NOS2NOS3
SCHEMBL7378051 0.74 NOS2 (0.38) NOS2NOS3
SCHEMBL7563046 0.73 NOS2 (0.38) NOS2NOS3
SCHEMBL7397761 0.73 NOS3 (0.34) NOS2NOS3
SCHEMBL7420397 0.73 NOS2 (0.49) NOS2NOS3

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
WO-2000073313-A1 NEW TRICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2000-12-07 WO disclosed