Sugi Predict

Sugi Predict / Compounds / SCHEMBL1921285

SCHEMBL1921285

SCHEMBL1921285

Cc1ccc(-n2cnnn2)c(CCC(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4[nH]c(=O)cc(CC(C)(C)C(=O)O)c4c3)c(Cl)[nH]2)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 20/20 0.60
▸ KLKB1 P03952 8/20 0.47
▸ KLK1 P06870 2/20 0.47
▸ PLAT P00750 2/20 0.47
▸ PRSS1 P07477 4/20 0.40
▸ PRSS2 P07478 4/20 0.40
▸ PRSS3 P35030 4/20 0.40
▸ F10 P00742 3/20 0.38
▸ F12 P00748 2/20 0.38
▸ F7 P08709 2/20 0.38
▸ PLG P00747 1/20 0.37

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
SCHEMBL4759430 0.91 F11 (0.49) F11KLKB1KLK1PLATPRSS1
SCHEMBL1197630 0.90 F11 (0.64) F11KLKB1KLK1PLATPRSS1
SCHEMBL1196398 0.89 F11 (0.61) F11KLKB1KLK1PLATPRSS1
SCHEMBL1196399 0.89 F11 (0.61) F11KLKB1KLK1PLATPRSS1
SCHEMBL1197021 0.88 F11 (0.67) F11KLKB1KLK1PLATPRSS1
SCHEMBL1197019 0.88 F11 (0.67) F11KLKB1KLK1PLATPRSS1
SCHEMBL1196828 0.84 F11 (0.71) F11KLKB1KLK1PLATPRSS1
SCHEMBL13073912 0.84 F11 (0.56) F11KLKB1KLK1PLATPRSS1
SCHEMBL1196760 0.84 F11 (0.70) F11KLKB1KLK1PLATPRSS1
SCHEMBL1921212 0.82 F11 (0.70) 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