SCHEMBL3561824

SCHEMBL3561824

O=C(O)C1CCCCN1c1nc(-n2ccnc2)ns1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 15/20 0.40
PORCN Q9H237 2/20 0.39
CD38 P28907 3/20 0.39

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
SCHEMBL3561819 1.00 NOS2 (0.40) NOS2PORCNCD38
SCHEMBL3563583 0.97 PORCN (0.42) NOS2PORCNCD38
SCHEMBL3560162 0.97 PORCN (0.42) NOS2PORCNCD38
SCHEMBL3560159 0.97 PORCN (0.42) NOS2PORCNCD38
SCHEMBL3564868 0.80 GAA (0.36) NOS2CD38
SCHEMBL3563224 0.80 GAA (0.36) NOS2CD38
SCHEMBL3558401 0.80 GAA (0.36) NOS2CD38
SCHEMBL3563649 0.76 CHEK1 (0.47) NOS2PORCNCD38
SCHEMBL3563642 0.76 CHEK1 (0.47) NOS2PORCNCD38
SCHEMBL19704898 0.74 NOS2 (0.57) NOS2CD38

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
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed