SCHEMBL13037286

SCHEMBL13037286

Cc1cc(C(Cc2cccnc2)NCCNCc2ccc3c(c2)OCO3)nc(-n2ccnc2)n1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.59
NOS1 P29475 7/20 0.55

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
SCHEMBL3559822 0.84 NOS2 (0.75) NOS2NOS1
SCHEMBL13037193 0.83 NOS2 (0.61) NOS2NOS1
SCHEMBL13037191 0.82 NOS2 (0.58) NOS2NOS1
SCHEMBL3567121 0.80 NOS2 (0.68) NOS2NOS1
Trifluoroacetic Acid SCHEMBL3570741 0.79 NOS2 (0.56) NOS2NOS1
Trifluoroacetic Acid SCHEMBL3559480 0.78 NOS2 (0.55) NOS2NOS1
SCHEMBL3563572 0.78 NOS2 (0.69) NOS2NOS1
SCHEMBL3571987 0.77 NOS2 (0.74) NOS2NOS1
SCHEMBL13037156 0.75 NOS2 (1.00) NOS2NOS1
SCHEMBL20435490 0.74 NOS2 (1.00) 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
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed