SCHEMBL5530380

SCHEMBL5530380

C#Cc1ccc(NC(=O)c2cc(-c3ccc(C(=N)N(C)CC)cc3)cc(OC)c2C(N)=O)nc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.47
ABCB1 P08183 2/20 0.40
ABCC1 P33527 1/20 0.39
KCNH2 Q12809 3/20 0.38
F2 P00734 2/20 0.38
KLKB1 P03952 1/20 0.36
FGFR3 P22607 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
SCHEMBL5531799 0.94 F10 (0.46) F10ABCB1ABCC1KCNH2F2
SCHEMBL5532509 0.93 F10 (0.47) F10ABCB1ABCC1KCNH2F2
SCHEMBL5541061 0.92 F10 (0.46) F10ABCB1ABCC1KCNH2F2
SCHEMBL5530794 0.92 F10 (0.56) F10KCNH2F2
SCHEMBL7132134 0.83 F10 (0.44) F10ABCB1ABCC1KCNH2FGFR3
SCHEMBL5532539 0.79 F10 (0.53) F10ABCC1F2
SCHEMBL14345374 0.79 F10 (0.54) F10KCNH2F2
SCHEMBL14345182 0.79 F10 (0.68) F10KCNH2F2
SCHEMBL5534784 0.77 F10 (0.62) F10KCNH2F2
SCHEMBL5534121 0.75 ABCB1 (0.37) F10ABCB1ABCC1

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 4 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
US-7312235-B2 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
EP-1373194-A1 BENZAMIDE INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2004-01-02 EP disclosed
WO-2002079145-A1 BENZAMIDE INHIBITORS OF FACTOR Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-10-10 WO disclosed