SCHEMBL5798797

SCHEMBL5798797

Cc1nc(-c2ccccc2[N+](=O)[O-])n(CCc2cccc(F)c2)c(=O)c1CC(C)C

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASR P41180 18/20 0.58
NR1I2 O75469 3/20 0.47
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL5798847 0.85 CASR (0.62) CASRNR1I2MAPT
SCHEMBL5797665 0.85 CASR (0.79) CASRNR1I2
SCHEMBL4143882 0.83 CASR (0.67) CASRNR1I2
SCHEMBL5797799 0.82 CASR (0.58) CASRNR1I2
SCHEMBL5799676 0.80 CASR (0.58) CASRNR1I2
SCHEMBL5799333 0.79 CASR (0.53) CASRNR1I2
SCHEMBL5795434 0.79 CASR (0.56) CASRNR1I2
SCHEMBL5799230 0.79 CASR (0.56) CASRNR1I2
SCHEMBL5799685 0.79 CASR (0.59) CASRNR1I2
SCHEMBL5799217 0.78 CASR (0.58) CASRNR1I2

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
WO-2006066070-A2 PRODRUG CONSTRUCTS OF PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2006-06-22 WO disclosed