SCHEMBL27690836

SCHEMBL27690836

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PTGDR2 Q9Y5Y4 5/20 0.41
▸ MKNK1 Q9BUB5 3/20 0.38
▸ MKNK2 Q9HBH9 3/20 0.38
▸ ATM Q13315 1/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SDHB P21912 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ BRD2 P25440 1/20 0.35
▸ BRD3 Q15059 1/20 0.35
▸ BRDT Q58F21 1/20 0.35
▸ MME P08473 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
SCHEMBL27690837 0.93 MAPT (0.44) MAPTSMN1; SMN2GAAALDH1A1PTGDR2
SCHEMBL5435836 0.85 MAPT (0.50) MAPTSMN1; SMN2GAAALDH1A1PTGDR2
SCHEMBL5184935 0.85 MAPT (0.52) MAPTSMN1; SMN2GAAALDH1A1PTGDR2
SCHEMBL5439772 0.83 MAPT (0.44) MAPTSMN1; SMN2GAAALDH1A1PTGDR2
SCHEMBL5437175 0.83 MAPT (0.50) MAPTPTGDR2MKNK1MKNK2HTR2A
SCHEMBL5430785 0.82 MAPT (0.44) MAPTSMN1; SMN2GAAALDH1A1PTGDR2
SCHEMBL5439419 0.81 MAPT (0.44) MAPTSMN1; SMN2GAAALDH1A1PTGDR2
SCHEMBL5430731 0.80 MAPT (0.45) MAPTSMN1; SMN2GAAALDH1A1PTGDR2
SCHEMBL8264087 0.80 MAPT (0.52) MAPTSMN1; SMN2GAAALDH1A1PTGDR2
SCHEMBL5197304 0.80 MAPT (0.49) MAPTSMN1; SMN2GAAALDH1A1PTGDR2

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
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