SCHEMBL1920746

SCHEMBL1920746

O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)NC(Cc1ccccc1)c1nc(-c2cccc3c(O)cc(=O)[nH]c23)c(Cl)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.66
KLKB1 P03952 11/20 0.66
PLAT P00750 4/20 0.66
KLK1 P06870 1/20 0.66
F10 P00742 3/20 0.54
PLG P00747 2/20 0.50
F9 P00740 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
SCHEMBL1922777 0.89 F11 (0.62) F11KLKB1PLATKLK1F10
SCHEMBL1196973 0.88 F11 (0.75) F11KLKB1PLATKLK1F10
SCHEMBL1196978 0.88 F11 (0.75) F11KLKB1PLATKLK1F10
SCHEMBL1196975 0.88 F11 (0.75) F11KLKB1PLATKLK1F10
SCHEMBL1196976 0.88 F11 (0.75) F11KLKB1PLATKLK1F10
SCHEMBL1197058 0.86 F11 (0.74) F11KLKB1PLATKLK1F10
SCHEMBL1197056 0.86 F11 (0.74) F11KLKB1PLATKLK1F10
SCHEMBL1920316 0.83 F11 (0.78) F11KLKB1PLATKLK1F10
SCHEMBL1197118 0.83 F11 (0.74) F11KLKB1PLATKLK1F10
SCHEMBL1197119 0.83 F11 (0.74) F11KLKB1PLATKLK1F10

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-1981854-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-01 EP claimed