SCHEMBL2487937

SCHEMBL2487937

O=C(O)Oc1cn(Cc2ccc(-c3ccncc3F)cc2F)c2ccccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.42
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NOD2 Q9HC29 1/20 0.37
TP53 P04637 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 1/20 0.37
METAP2 P50579 1/20 0.37
ICMT O60725 1/20 0.37
CDC7 O00311 1/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
PRKACA P17612 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL2487935 0.88 CHRM1 (0.53) CHRM1MAPTNPC1RAB9ANOD2
SCHEMBL2487940 0.86 CHRM1 (0.44) CHRM1MAPTNPC1RAB9ANOD2
SCHEMBL2490966 0.84 CHRM1 (0.42) CHRM1MAPTNPC1RAB9ANOD2
SCHEMBL2485714 0.83 CHRM1 (0.45) CHRM1MAPTNPC1RAB9ANOD2
SCHEMBL2487494 0.83 CHRM1 (0.40) CHRM1METAP2ICMTCDC7ROCK2
SCHEMBL2488401 0.82 CHRM1 (0.62) CHRM1
SCHEMBL2489082 0.82 CHRM1 (0.45) CHRM1MAPTNPC1RAB9ANOD2
SCHEMBL2486150 0.80 MAPT (0.41) CHRM1MAPTNPC1RAB9ANOD2
SCHEMBL2492209 0.78 CHRM1 (0.44) CHRM1MAPTNPC1RAB9ANOD2
SCHEMBL2488682 0.74 CHRM1 (0.57) CHRM1MAPTNPC1RAB9ANOD2

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-2037739-B1 BENZYL-SUBSTITUTED QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2011-10-26 EP claimed