SCHEMBL7209808

SCHEMBL7209808

COc1ccccc1OC1C(=O)NC(=O)NC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
POLB P06746 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
KMT2A Q03164 2/20 0.40
CHEK1 O14757 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 3/20 0.39
DDB1 Q16531 2/20 0.39
CRBN Q96SW2 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL7197852 0.86 SIRT2 (0.49) CA2CA12CA1CA4CA7
SCHEMBL7293888 0.75 CA12 (0.35) CA2CA12CA1CA4CA7
SCHEMBL7303598 0.75 CA12 (0.35) CA2CA12CA1CA4CA7
SCHEMBL627191 0.74 RAB9A (0.35) CA2CA12CA1CA4CA7
SCHEMBL7201836 0.74 CA12 (0.34) CA2CA12CA1CA4CA7
SCHEMBL7296783 0.74 DDB1 (0.37) CA2CA12CA1CA4CA7
SCHEMBL1532744 0.73 L3MBTL1 (0.39) CA2CA12CA1CA4CA7
SCHEMBL4062089 0.73 ALDH1A1 (0.46) CA2CA12CA1CA4CA7
SCHEMBL7330474 0.72 MAPT (0.33) CA2CA12CA1CA4CA7
SCHEMBL2673236 0.71 MAPT (0.50) POLBUSP2ALDH1A1MAPT

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
EP-0852226-B1 PYRIMIDINE DERIVATIVES KOWA CO (JP) 2003-11-19 EP disclosed
US-5883092-A Pyrimidine derivatives as endothelin antagonists KOWA CO., LTD. (JP) 1999-03-16 US disclosed
EP-0852226-A1 PYRIMIDINE DERIVATIVES KOWA CO. LTD. (JP) 1998-07-08 EP disclosed