SCHEMBL4730136

SCHEMBL4730136

NC(=O)c1[c]cc(-n2ccccc2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.41
SYK P43405 1/20 0.36
KLKB1 P03952 1/20 0.35
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 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
SCHEMBL4438362 0.78 F10 (0.41) F10SYKKLKB1CA12CA1
SCHEMBL4238560 0.75 F10 (0.58) F10
SCHEMBL1226597 0.73 CYP1A2 (0.37) F10CA12CA1CA2CA9
SCHEMBL6589321 0.71 KDM4E (0.44) SYK
SCHEMBL6607436 0.69 IP6K1 (0.41)
SCHEMBL1675566 0.68 CA2 (0.47) F10CA2
SCHEMBL1030894 0.68 F10 (0.47) F10SYKKLKB1
SCHEMBL6522040 0.68 F10 (0.43) F10SYKKLKB1
SCHEMBL4591950 0.68 F10 (0.46) F10SYKKLKB1
SCHEMBL3818476 0.67 DGAT1 (0.36) F10SYKKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951717-A1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF COAGULATION FACTOR XA F.HOFFMANN-LA ROCHE AG (CH) 2008-08-06 EP disclosed
WO-2007057317-A1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF COAGULATION FACTOR XA F. HOFFMANN-LA ROCHE AG (CH) 2007-05-24 WO disclosed
US-7030141-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2006-04-18 US disclosed