SCHEMBL27690837

SCHEMBL27690837

O=C(O)OCc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ PTGDR2 Q9Y5Y4 6/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MKNK1 Q9BUB5 2/20 0.37
▸ MKNK2 Q9HBH9 2/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ MME P08473 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ CHRM1 P11229 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ SDHB P21912 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
SCHEMBL27690836 0.93 MAPT (0.45) MAPTPTGDR2SMN1; SMN2GAAALDH1A1
SCHEMBL5435836 0.84 MAPT (0.50) MAPTPTGDR2SMN1; SMN2GAAALDH1A1
SCHEMBL5184935 0.84 MAPT (0.52) MAPTPTGDR2SMN1; SMN2GAAALDH1A1
SCHEMBL5430785 0.83 MAPT (0.44) MAPTPTGDR2SMN1; SMN2GAAALDH1A1
SCHEMBL5437175 0.82 MAPT (0.50) MAPTPTGDR2MKNK1MKNK2HTR2A
SCHEMBL16275018 0.81 MAPT (0.44) MAPTPTGDR2ALDH1A1MKNK1MKNK2
SCHEMBL5439379 0.81 MAPT (0.46) MAPTPTGDR2SMN1; SMN2GAAALDH1A1
SCHEMBL5439772 0.80 MAPT (0.44) MAPTPTGDR2SMN1; SMN2GAAALDH1A1
SCHEMBL16275012 0.80 PTGDR2 (0.42) MAPTPTGDR2SMN1; SMN2GAAALDH1A1
SCHEMBL8264087 0.79 MAPT (0.52) MAPTPTGDR2SMN1; SMN2GAAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101061098-B Novel pyridinone derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV 2012-05-23 — — CN claimed
CN-101061098-B Novel pyridinone derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV 2012-05-23 — — CN disclosed
CN-101061098-A Novel pyridinone derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV (BE) 2007-10-24 — — CN disclosed
Send feedback