SCHEMBL1647609

SCHEMBL1647609

Cc1cc(C)nc(CCCCc2ccc([AsH2])cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.48
NOS1 P29475 6/20 0.48
NOS3 P29474 5/20 0.48
IGF1R P08069 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL2231028 0.84 NOS2 (0.55) NOS2NOS1NOS3
SCHEMBL9313998 0.74 NOS2 (0.54) NOS2NOS1NOS3
SCHEMBL16228218 0.74 NOS2 (0.58) NOS2NOS1NOS3
SCHEMBL9254075 0.73 NOS2 (0.53) NOS2NOS1NOS3
SCHEMBL10144472 0.72 NOS2 (0.52) NOS2NOS1NOS3
SCHEMBL13040577 0.72 NOS2 (0.68) NOS2NOS1NOS3
SCHEMBL1126483 0.71 NOS1 (0.42) NOS2NOS1NOS3
SCHEMBL11829782 0.69 NOS2 (0.64) NOS2NOS1NOS3
SCHEMBL15470594 0.68 NOS2 (0.46) NOS2NOS1NOS3
SCHEMBL7051201 0.68 NOS2 (0.94) NOS2NOS1NOS3

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-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO disclosed