SCHEMBL16275048

SCHEMBL16275048

O=c1ccc(-c2cc[c]cc2)cn1Cc1ccc(Cl)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.51
▸ MKNK1 Q9BUB5 5/20 0.42
▸ MKNK2 Q9HBH9 5/20 0.42
▸ PTGDR2 Q9Y5Y4 3/20 0.40
▸ TP53 P04637 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ CXCR3 P49682 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 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
SCHEMBL8264087 0.86 MAPT (0.52) MAPTMKNK1MKNK2PTGDR2TP53
SCHEMBL5184935 0.86 MAPT (0.52) MAPTMKNK1MKNK2PTGDR2TP53
Hydrochloric Acid SCHEMBL5184655 0.85 MAPT (0.51) MAPTMKNK1MKNK2PTGDR2TP53
SCHEMBL5435836 0.84 MAPT (0.50) MAPTMKNK1MKNK2PTGDR2TP53
SCHEMBL5437175 0.84 MAPT (0.50) MAPTMKNK1MKNK2PTGDR2TP53
SCHEMBL5440937 0.84 MAPT (0.50) MAPTMKNK1MKNK2PTGDR2SMN1; SMN2
SCHEMBL5433177 0.83 MAPT (0.55) MAPTMKNK1MKNK2PTGDR2TP53
SCHEMBL5197304 0.83 MAPT (0.49) MAPTMKNK1MKNK2PTGDR2TP53
SCHEMBL8264094 0.81 MAPT (0.47) MAPTMKNK1MKNK2PTGDR2TP53
SCHEMBL5433606 0.81 MAPT (0.44) MAPTMKNK1MKNK2PTGDR2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799646-B1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2014-12-10 — — EP claimed
EP-1799646-B1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2014-12-10 — — EP disclosed
Send feedback