SCHEMBL5533877

SCHEMBL5533877

C#Cc1ccc(NC(=O)c2cc(Cl)cc(OC)c2N(C=O)c2ccc(C=NN(C)CC)cc2F)nc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.39
F2 P00734 13/20 0.39
KCNH2 Q12809 1/20 0.34
KLKB1 P03952 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL5537319 0.95 F10 (0.38) F10F2KCNH2
SCHEMBL5533724 0.93 F10 (0.38) F10F2KCNH2
SCHEMBL5530280 0.93 F10 (0.40) F10F2
SCHEMBL5530355 0.90 F10 (0.41) F10F2KLKB1ELANE
SCHEMBL5532082 0.90 F2 (0.36) F10F2KLKB1
SCHEMBL5534413 0.86 F10 (0.37) F10F2KCNH2
SCHEMBL5531803 0.86 F10 (0.36) F10F2KCNH2
SCHEMBL5532201 0.85 RAB9A (0.40) F10F2KCNH2
SCHEMBL5555126 0.84 F10 (0.40) F10F2KCNH2
SCHEMBL5532926 0.84 F10 (0.40) F10F2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373194-B1 BENZAMIDE INHIBITORS OF FACTOR Xa MILLENNIUM PHARM INC (US) 2007-08-01 EP claimed
EP-1373194-A1 BENZAMIDE INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2004-01-02 EP claimed
WO-2002079145-A1 BENZAMIDE INHIBITORS OF FACTOR Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-10-10 WO claimed
US-7312235-B2 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
EP-1373194-B1 BENZAMIDE INHIBITORS OF FACTOR Xa MILLENNIUM PHARM INC (US) 2007-08-01 EP disclosed