SCHEMBL14535995

SCHEMBL14535995

Cc1nc(-c2cccc(F)c2O)n(CCc2ccccc2)c(=O)c1C#N

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 17/20 0.73
NR1I2 O75469 5/20 0.73
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL4160874 0.88 CASR (0.69) CASRNR1I2
SCHEMBL4148326 0.86 CASR (0.68) CASRNR1I2
SCHEMBL4143299 0.86 CASR (0.74) CASRNR1I2KDM4EMEN1MAPT
SCHEMBL4143317 0.85 CASR (0.81) CASRNR1I2
SCHEMBL4143340 0.85 CASR (0.76) CASRNR1I2
SCHEMBL4135287 0.85 CASR (0.69) CASRNR1I2TSHRHSD17B10
SCHEMBL4147429 0.84 CASR (1.00) CASRNR1I2
SCHEMBL4157964 0.84 CASR (0.75) CASRNR1I2
SCHEMBL4151003 0.84 CASR (0.80) CASRNR1I2
SCHEMBL4138478 0.83 CASR (0.73) 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-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO disclosed