SCHEMBL17866254

SCHEMBL17866254

Cn1ccc(OC(=O)Nc2cnc(OCC(F)(F)F)c(-c3ccc(Cl)cc3)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CNR1 P21554 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 1/20 0.41
NPC1 O15118 2/20 0.40
PTGS2 P35354 2/20 0.39
SCN5A Q14524 2/20 0.36
KCNH2 Q12809 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
MAT2A P31153 1/20 0.35
SCN9A Q15858 1/20 0.35
JMJD6 Q6NYC1 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
SCHEMBL2113272 0.86 CNR1 (0.49) MAPTSMN1; SMN2NPSR1CNR1MEN1
SCHEMBL17866285 0.84 CNR1 (0.44) MAPTSMN1; SMN2NPSR1CNR1MEN1
SCHEMBL17866251 0.83 CNR1 (0.47) MAPTSMN1; SMN2NPSR1CNR1MEN1
SCHEMBL17866272 0.83 MAPT (0.46) MAPTSMN1; SMN2NPSR1CNR1MEN1
SCHEMBL17866268 0.83 CNR1 (0.47) MAPTSMN1; SMN2NPSR1CNR1MEN1
SCHEMBL17866283 0.83 CNR1 (0.47) MAPTSMN1; SMN2NPSR1CNR1MEN1
SCHEMBL17866262 0.83 CNR1 (0.47) MAPTSMN1; SMN2NPSR1CNR1MEN1
SCHEMBL17866289 0.82 MAPT (0.45) MAPTSMN1; SMN2NPSR1CNR1MEN1
SCHEMBL17866266 0.82 MAPT (0.45) MAPTSMN1; SMN2NPSR1CNR1MEN1
SCHEMBL17866263 0.82 CNR1 (0.46) MAPTSMN1; SMN2NPSR1CNR1MEN1

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