SCHEMBL3239683

SCHEMBL3239683

O=C(O)Oc1cn(Cc2ccc(F)c(F)c2)c2cc(Cl)ccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 2/20 0.39
PRNP P04156 1/20 0.39
MAPK8 P45983 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
POLB P06746 1/20 0.39
CNR2 P34972 1/20 0.39
MDM4 O15151 1/20 0.39
MDM2 Q00987 1/20 0.39

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
SCHEMBL3234629 0.91 TP53 (0.50) P2RX3MEN1KMT2ATP53SMN1; SMN2
SCHEMBL3234265 0.86 EGLN2 (0.46) P2RX3MEN1KMT2ASMN1; SMN2RXFP1
SCHEMBL3238407 0.85 LMNA (0.55) MEN1KMT2ATP53
SCHEMBL3241020 0.85 SLC22A12 (0.45) P2RX3SMN1; SMN2RXFP1MAPTMAPK8
SCHEMBL3243021 0.84 SERPINE1 (0.49) P2RX3MEN1KMT2ATP53SMN1; SMN2
SCHEMBL3238079 0.83 ICMT (0.45) TP53SMN1; SMN2RXFP1MAPTMAPK8
SCHEMBL3233866 0.81 AKR1B1 (0.53) MEN1KMT2ATP53MAPTMAPK8
SCHEMBL9416441 0.80 MAPK8 (0.43) P2RX3MAPK8POLBCNR2
SCHEMBL3237157 0.79 MAPT (0.48) MEN1KMT2ATP53SMN1; SMN2RXFP1
SCHEMBL3234589 0.79 CHRM1 (0.55) TP53SMN1; SMN2MAPT

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-1963271-B1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2010-07-28 EP claimed