SCHEMBL1921368

SCHEMBL1921368

O=C(/C=C/c1c[nH]cn1)NC(Cc1ccccc1)c1nc(-c2cccc3c(O)cc(=O)[nH]c23)c(Cl)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F11 P03951 17/20 0.39
KLKB1 P03952 8/20 0.39
KLK1 P06870 2/20 0.39
PLAT P00750 2/20 0.39
PRSS1 P07477 4/20 0.38
PRSS2 P07478 4/20 0.38
PRSS3 P35030 4/20 0.38
F10 P00742 3/20 0.35
F12 P00748 2/20 0.35
F7 P08709 2/20 0.35
PLG P00747 1/20 0.35
GSK3B P49841 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32

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
SCHEMBL1197594 0.86 F11 (0.46) F11KLKB1KLK1PLATPRSS1
SCHEMBL1197597 0.86 F11 (0.46) F11KLKB1KLK1PLATPRSS1
SCHEMBL1197600 0.86 F11 (0.46) F11KLKB1KLK1PLATPRSS1
SCHEMBL1197603 0.86 F11 (0.46) F11KLKB1KLK1PLATPRSS1
SCHEMBL1920914 0.83 F11 (0.40) F11KLKB1KLK1PLATPRSS1
SCHEMBL1920746 0.79 F11 (0.66) F11KLKB1KLK1PLATF10
SCHEMBL12012926 0.79 F11 (0.39) F11KLKB1KLK1PLATPRSS1
SCHEMBL1196460 0.69 F11 (0.51) F11KLKB1KLK1PLATPRSS1
SCHEMBL1196466 0.69 F11 (0.51) F11KLKB1KLK1PLATPRSS1
SCHEMBL1197206 0.69 F11 (0.47) F11KLKB1KLK1PLATPRSS1

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