SCHEMBL9570955

SCHEMBL9570955

Cc1cc(-c2ccccc2)n(-c2ccccc2-c2ccccc2C#N)c(=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
HPGD P15428 4/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 3/20 0.42
GALR3 O60755 1/20 0.42
GABRG2 P18507 6/20 0.40
GABRB3 P28472 6/20 0.40
GABRA1 P14867 5/20 0.40
GABRA2 P47869 4/20 0.40
GABRA5 P31644 4/20 0.40
GABRA3 P34903 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GLA P06280 2/20 0.37
BCAT1 P54687 1/20 0.37
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
PLAUR Q03405 1/20 0.36
GRIA1 P42261 1/20 0.36

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
SCHEMBL9571033 0.84 KDM4E (0.40) KDM4EHPGDALDH1A1GAAGALR3
SCHEMBL9571037 0.81 IDH1 (0.38) KDM4EHPGDALDH1A1GAAGALR3
SCHEMBL9566905 0.73 KDM4E (0.46) KDM4EHPGDALDH1A1GAAGLA
SCHEMBL26528667 0.70 GRIN1 (0.37) KDM4EHPGDALDH1A1GABRG2GABRB3
SCHEMBL26528676 0.69 GRIN1 (0.36) KDM4EHPGDALDH1A1GABRG2GABRB3
SCHEMBL17949576 0.69 KDM4E (0.38) KDM4EALDH1A1GAAGABRG2GABRB3
SCHEMBL26529531 0.67 ESR2 (0.38) KDM4EHPGDALDH1A1GABRG2GABRB3
SCHEMBL29662936 0.66 ESR2 (0.53) KDM4EHPGDALDH1A1GAAGALR3
SCHEMBL28133054 0.66 ESR2 (0.53) KDM4EHPGDALDH1A1GAAGALR3
SCHEMBL31663533 0.66 PDE9A (0.39) KDM4EALDH1A1GABRG2GABRB3GABRA1

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-0530702-A1 1,2-dihydro-2-oxopyridines as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-03-10 EP disclosed