SCHEMBL2487409

SCHEMBL2487409

O=C(O)Oc1cn(Cc2ccc(-c3csnn3)cc2)c2ccccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
CHRM1 P11229 3/20 0.46
MGLL Q99685 1/20 0.46
TP53 P04637 2/20 0.44
CNR2 P34972 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
SCHEMBL2487306 0.87 LMNA (0.65) LMNACHRM1TP53CNR2
SCHEMBL2492278 0.85 CHRM1 (0.54) CHRM1MGLL
SCHEMBL2487888 0.85 CHRM1 (0.52) CHRM1MGLLTP53
SCHEMBL2490511 0.84 LMNA (0.59) LMNACHRM1TP53CNR2
SCHEMBL3234156 0.80 LMNA (0.62) LMNACHRM1TP53CNR2
SCHEMBL3237179 0.80 LMNA (0.59) LMNACHRM1TP53CNR2
SCHEMBL2489418 0.80 TP53 (0.53) LMNACHRM1TP53CNR2
SCHEMBL2490815 0.79 CHRM1 (0.49) CHRM1MGLL
SCHEMBL2491002 0.79 CHRM1 (0.71) LMNACHRM1
SCHEMBL3241260 0.76 TP53 (0.68) LMNACHRM1TP53CNR2

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