SCHEMBL4569680

SCHEMBL4569680

CNS(=O)(=O)CCOc1cccn(-c2ccc(-n3cc(CNC(=O)c4ccc(Cl)s4)nn3)cc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.45
F10 P00742 11/20 0.40
HPGD P15428 1/20 0.38
F2 P00734 1/20 0.37
F11 P03951 1/20 0.37
P2RX7 Q99572 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
APP P05067 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
SCHEMBL3088969 0.92 MIF (0.46) MIFF10HPGDF2F11
SCHEMBL3100876 0.89 MIF (0.49) MIFF10HPGDF2APP
SCHEMBL3091712 0.88 MIF (0.47) MIFF10HPGDF2P2RX7
SCHEMBL14147682 0.88 MIF (0.47) MIFF10HPGDP2RX7
SCHEMBL3082940 0.87 MIF (0.47) MIFF10HPGDAPP
SCHEMBL3091408 0.87 MIF (0.47) MIFF10HPGDF2F11
SCHEMBL1096208 0.86 MIF (0.52) MIFF10HPGDAPP
SCHEMBL3081555 0.86 MIF (0.45) MIFF10HPGDF2F11
SCHEMBL3086389 0.86 MIF (0.45) MIFF10HPGDP2RX7APP
SCHEMBL3097969 0.84 MIF (0.44) MIFF10HPGDAPP

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 claimed
WO-2008086188-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 WO claimed