SCHEMBL1920879

SCHEMBL1920879

CN(C(=O)O)c1ccc(-c2nc([C@H](Cc3ccc4c(c3)CC(O)C4)NC(=O)/C=C/c3cccc(Cl)c3)[nH]c2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F11 P03951 19/20 0.42
KLKB1 P03952 6/20 0.42
KLK1 P06870 2/20 0.39
PLAT P00750 1/20 0.39
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
CDC25B P30305 1/20 0.36
PRSS1 P07477 4/20 0.36
PRSS2 P07478 4/20 0.36
PRSS3 P35030 4/20 0.36
F10 P00742 2/20 0.36
F12 P00748 2/20 0.36
F7 P08709 2/20 0.36
PLG P00747 1/20 0.36

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
SCHEMBL1921801 0.87 F11 (0.56) F11KLKB1PLATF10PLG
SCHEMBL1921798 0.87 F11 (0.56) F11KLKB1PLATF10PLG
SCHEMBL1920527 0.80 F11 (0.54) F11KLKB1PLATF10
SCHEMBL1920525 0.80 F11 (0.54) F11KLKB1PLATF10
SCHEMBL4758948 0.80 F11 (0.54) F11KLKB1PLATF10
SCHEMBL1920524 0.80 F11 (0.54) F11KLKB1PLATF10
SCHEMBL1920875 0.73 F11 (0.47) F11KLKB1KLK1PLATPRSS1
SCHEMBL1197150 0.70 F11 (0.70) F11KLKB1KLK1PLATPRSS1
SCHEMBL1197328 0.70 F11 (0.48) F11KLKB1KLK1PLATPTPN2
SCHEMBL1197326 0.70 F11 (0.48) F11KLKB1KLK1PLATPTPN2

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