Sugi Predict

Sugi Predict / Compounds / SCHEMBL4553547

SCHEMBL4553547

SCHEMBL4553547

NS(=O)(=O)c1ccccc1-c1ccc(-n2cc(CNC(=O)c3ccc(Cl)s3)nn2)c(F)c1.O=C(NCc1cn(-c2ccc(C(=O)N3CCCC3)cc2)nn1)c1ccc(Cl)s1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 13/20 0.44
▸ MIF P14174 4/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ LIPC P11150 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 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
SCHEMBL3086808 0.90 F10 (0.52) F10F2PRSS1PRSS2PRSS3
SCHEMBL3086380 0.81 MIF (0.55) F10MIFCA12CA1CA2
SCHEMBL1097479 0.77 F10 (0.44) F10MIF
SCHEMBL1097630 0.76 F10 (0.44) F10MIF
SCHEMBL1097592 0.76 F10 (0.43) F10MIF
SCHEMBL1096994 0.73 MIF (0.54) F10MIFF2
SCHEMBL3095059 0.73 MIF (0.57) F10MIF
SCHEMBL1096118 0.73 MIF (0.53) F10MIFF2
SCHEMBL3087609 0.72 MIF (0.55) F10MIF
SCHEMBL3097932 0.72 F10 (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114928-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2009-11-11 — — EP disclosed
WO-2008086188-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 — — WO disclosed