SCHEMBL9944047

SCHEMBL9944047

Cc1nccc(-c2cc(=O)[nH]c(O)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.40
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 3/20 0.35
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
CDK2 P24941 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
MAPT P10636 3/20 0.34
PDE2A O00408 2/20 0.34
HSD17B10 Q99714 1/20 0.34
XDH P47989 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3825889 0.74 KDM4E (0.41) GSK3BKDM4EALDH1A1POLBLMNA
SCHEMBL9355962 0.73 KDM4E (0.53) KDM4EALDH1A1POLBLMNAGAA
SCHEMBL21990343 0.68
SCHEMBL15274777 0.68 KDM4E (0.48) KDM4EALDH1A1POLBLMNAHPGD
SCHEMBL27115085 0.67 MEN1 (0.66) KDM4EALDH1A1POLBLMNAGAA
SCHEMBL27115830 0.67 KDM4E (0.54) KDM4EALDH1A1POLBLMNAHPGD
SCHEMBL27115086 0.67 KDM4E (0.40) KDM4EALDH1A1POLBLMNAGAA
SCHEMBL5231389 0.65 SORT1 (0.40) GSK3BKDM4EGAAHPGDMAPT
SCHEMBL10999876 0.65 KDM4E (0.48) KDM4EALDH1A1POLBLMNAHPGD
SCHEMBL30831552 0.65 KDM4E (0.40) KDM4EALDH1A1POLBLMNAGAA

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-2464632-A1 PYRIMIDONE DERIVATIVES USED AS TAU PROTEIN KINASE 1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2012-06-20 EP disclosed