SCHEMBL2492278

SCHEMBL2492278

O=C(O)Oc1cn(Cc2ccc(-c3csnn3)cc2)c2c(F)cccc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.54
MGLL Q99685 1/20 0.41
PTPN1 P18031 10/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 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
SCHEMBL2490002 0.88 CHRM1 (0.71) CHRM1MGLL
SCHEMBL2490815 0.87 CHRM1 (0.49) CHRM1MGLLPTPN1KMT2AMEN1
SCHEMBL2487888 0.85 CHRM1 (0.52) CHRM1MGLLPTPN1KMT2AMEN1
SCHEMBL2487409 0.85 LMNA (0.47) CHRM1MGLL
SCHEMBL2489039 0.84 CHRM1 (0.74) CHRM1
SCHEMBL3234399 0.82 CHRM1 (0.63) CHRM1
SCHEMBL2490145 0.80 CHRM1 (0.59) CHRM1SMN1; SMN2
SCHEMBL2492203 0.80 CHRM1 (0.61) CHRM1POLBSMN1; SMN2
SCHEMBL2485661 0.80 CHRM1 (0.61) CHRM1
SCHEMBL2487941 0.80 CHRM1 (0.58) CHRM1SMN1; SMN2

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