SCHEMBL13037293

SCHEMBL13037293

Cc1cc(C(CCCO)N(C)CCOCc2ccc3c(c2)OCO3)nc(-n2ccnc2)n1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.63
NOS1 P29475 8/20 0.54

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
SCHEMBL3569287 0.78 NOS2 (1.00) NOS2NOS1
SCHEMBL13037246 0.75 NOS2 (0.62) NOS2NOS1
SCHEMBL3561915 0.72 NOS2 (0.91) NOS2NOS1
SCHEMBL3563572 0.72 NOS2 (0.69) NOS2NOS1
SCHEMBL3563611 0.70 NOS2 (1.00) NOS2NOS1
SCHEMBL6295409 0.69 NOS2 (1.00) NOS2NOS1
SCHEMBL6301478 0.68 NOS2 (0.57) NOS2NOS1
SCHEMBL6301458 0.68 NOS2 (0.75) NOS2NOS1
SCHEMBL6301471 0.68 NOS2 (0.62) NOS2NOS1
SCHEMBL3559822 0.67 NOS2 (0.75) 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