SCHEMBL2489418

SCHEMBL2489418

O=C(O)Oc1cn(Cc2ccc(-c3ccc(F)cn3)cc2)c2ccccc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
CNR2 P34972 1/20 0.48
LMNA P02545 1/20 0.47
CHRM1 P11229 3/20 0.45
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2489417 0.87 LMNA (0.64) TP53CNR2LMNACHRM1POLB
SCHEMBL3241260 0.84 TP53 (0.68) TP53CNR2LMNACHRM1POLB
SCHEMBL2490511 0.83 LMNA (0.59) TP53CNR2LMNACHRM1
SCHEMBL2487409 0.80 LMNA (0.47) TP53CNR2LMNACHRM1
SCHEMBL3237179 0.79 LMNA (0.59) TP53CNR2LMNACHRM1
SCHEMBL3234156 0.79 LMNA (0.62) TP53CNR2LMNACHRM1
SCHEMBL2491002 0.78 CHRM1 (0.71) LMNACHRM1POLBALDH1A1MAPT
SCHEMBL3236676 0.76 CHRM1 (0.55) TP53LMNACHRM1POLBSMN1; SMN2
SCHEMBL3234258 0.76 CHRM1 (0.55) TP53LMNACHRM1POLBSMN1; SMN2
SCHEMBL2489022 0.74 LMNA (0.48) TP53CNR2LMNACHRM1KMT2A

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