SCHEMBL28806953

SCHEMBL28806953

O=COC(Cc1cn[nH]c1)CC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.34

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
SCHEMBL27525176 0.80 NOS2 (0.40) NOS2
SCHEMBL28787513 0.78 ROCK1 (0.37) NOS2
SCHEMBL28858540 0.75 NOS2 (0.36) NOS2
SCHEMBL27972554 0.75 ROCK2 (0.41) NOS2
SCHEMBL28047241 0.75 NOS2 (0.33) NOS2
SCHEMBL28816888 0.75 CTSK (0.36) NOS2
SCHEMBL27530352 0.75 NOS2 (0.37) NOS2
SCHEMBL27808924 0.74 ROCK2 (0.36) NOS2
SCHEMBL28868753 0.73 LDHA (0.41) NOS2
SCHEMBL28313701 0.73 NOS2 (0.40) NOS2

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
CN-101821267-B Compounds for the treatment of hepatitis c BRISTOL MYERS SQUIBB CO 2013-07-10 CN disclosed