SCHEMBL6984675

SCHEMBL6984675

[CH2]c1cccc(N=C(N)c2cccs2)c1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.66
NOS3 P29474 2/20 0.65
NOS2 P35228 2/20 0.65
QRFPR Q96P65 1/20 0.52

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
SCHEMBL6984671 1.00 NOS1 (0.66) NOS1NOS3NOS2QRFPR
SCHEMBL4396067 0.83 NOS1 (0.68) NOS1NOS3NOS2QRFPR
Iodide SCHEMBL4402647 0.81 NOS1 (0.66) NOS1NOS3NOS2QRFPR
SCHEMBL6280369 0.80 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL6966996 0.79 NOS1 (1.00) NOS1NOS3NOS2QRFPR
Iodide SCHEMBL9053048 0.78 NOS1 (0.96) NOS1NOS3NOS2
SCHEMBL9038075 0.77 NOS1 (0.80) NOS1NOS3NOS2QRFPR
Bromide SCHEMBL6966297 0.76 NOS1 (0.80) NOS1NOS3NOS2QRFPR
Hydrochloric Acid SCHEMBL9220217 0.76 NOS1 (0.78) NOS1NOS3NOS2QRFPR
SCHEMBL4400343 0.75 NOS1 (0.56) NOS1NOS3NOS2

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
EP-1318149-A1 Amidine derivatives, their preparation and application as medicines and pharmaceutical compositions containing them Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2003-06-11 EP claimed