SCHEMBL7972795

SCHEMBL7972795

NC(=O)c1ccc2nc(-c3[nH]nc(-c4ccccc4O)c3O)[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.61
F9 P00740 1/20 0.61
F11 P03951 1/20 0.61
F7 P08709 1/20 0.61
CHEK2 O96017 16/20 0.56
F2 P00734 1/20 0.56
PLG P00747 1/20 0.56
PLAU P00749 1/20 0.56
PLAT P00750 1/20 0.56
HPN P05981 1/20 0.56
PRSS1 P07477 1/20 0.56
PRSS2 P07478 1/20 0.56
PRSS3 P35030 1/20 0.56
CHEK1 O14757 1/20 0.54
PKN1 Q16512 1/20 0.49
PKN2 Q16513 1/20 0.49

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
SCHEMBL7972717 0.85 F9 (0.77) F10F9F11F7CHEK2
SCHEMBL10139860 0.84 F9 (0.69) F10F9F11F7CHEK2
SCHEMBL29002011 0.84 F2 (0.76) F10CHEK2F2PLGPLAU
SCHEMBL10172686 0.81 CHEK2 (0.69) F10F9F11F7CHEK2
SCHEMBL7959397 0.81 CHEK2 (0.68) F10F9F11F7CHEK2
SCHEMBL20307772 0.81 F9 (0.64) F10F9F11F7CHEK2
SCHEMBL10140088 0.79 CHEK2 (0.54) F10CHEK2F2PLGPLAU
SCHEMBL10139859 0.78 CHEK2 (0.64) F10F9F11F7CHEK2
SCHEMBL10139807 0.76 F9 (0.56) F10F9F11F7CHEK2
SCHEMBL7973776 0.76 F10 (1.00) F10F9F11F7F2

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
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed