SCHEMBL3568576

SCHEMBL3568576

C[C@H](Nc1nc(-n2ccnc2)ns1)C(=O)NCCc1ccc2c(c1)OCO2

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.59
NOS1 P29475 12/20 0.57

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
SCHEMBL3568589 1.00 NOS2 (0.59) NOS2NOS1
SCHEMBL3556825 0.92 NOS2 (0.58) NOS2NOS1
SCHEMBL3558821 0.92 NOS2 (0.58) NOS2NOS1
SCHEMBL3559911 0.92 NOS2 (0.58) NOS2NOS1
SCHEMBL3614969 0.80 NOS2 (0.72) NOS2NOS1
SCHEMBL13037230 0.77 NOS2 (0.64) NOS2NOS1
SCHEMBL13037137 0.77 NOS2 (0.75) NOS2NOS1
SCHEMBL3566117 0.77 NOS2 (0.57) NOS2NOS1
SCHEMBL13037154 0.76 NOS2 (0.57) NOS2NOS1
SCHEMBL13037138 0.76 NOS2 (0.59) 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 3 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
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed