SCHEMBL17866285

SCHEMBL17866285

Cc1nn(C)cc1OC(=O)Nc1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.44
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
PTGS2 P35354 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 2/20 0.37
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
ATR Q13535 1/20 0.36
SCN5A Q14524 2/20 0.36
MAT2A P31153 1/20 0.36
SCN9A Q15858 1/20 0.36
NR3C1 P04150 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL2113765 0.87 LMNA (0.50) CNR1MAPTSMN1; SMN2NPSR1POLB
SCHEMBL17866254 0.84 MAPT (0.49) CNR1MAPTSMN1; SMN2NPSR1POLB
SCHEMBL17866272 0.83 MAPT (0.46) CNR1MAPTSMN1; SMN2NPSR1POLB
SCHEMBL17866267 0.83 CNR1 (0.44) CNR1MAPTSMN1; SMN2NPSR1PTGS2
SCHEMBL17866289 0.81 MAPT (0.45) CNR1MAPTSMN1; SMN2NPSR1PTGS2
SCHEMBL17866255 0.80 CNR1 (0.46) CNR1MAPTSMN1; SMN2NPSR1PTGS2
SCHEMBL17866260 0.80 CNR1 (0.44) CNR1MAPTSMN1; SMN2NPSR1PTGS2
SCHEMBL17866273 0.80 CNR1 (0.44) CNR1MAPTSMN1; SMN2NPSR1PTGS2
SCHEMBL17866274 0.80 CNR1 (0.44) CNR1MAPTSMN1; SMN2NPSR1LMNA
SCHEMBL17866275 0.80 CNR1 (0.45) CNR1MAPTSMN1; SMN2NPSR1PTGS2

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
EP-2627637-B1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2016-06-29 EP claimed