SCHEMBL4553184

SCHEMBL4553184

CCCN(C)c1ccc(-n2cc(CNC(=O)c3ccc(Cl)s3)nn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MIF P14174 7/20 0.56
MAPK1 P28482 1/20 0.45
NOTUM Q6P988 1/20 0.44
F10 P00742 4/20 0.44
HPGD P15428 2/20 0.43
P2RX7 Q99572 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL3078112 0.91 MIF (0.54) MIFMAPK1NOTUMF10HPGD
SCHEMBL3082837 0.87 MIF (0.57) MIFMAPK1NOTUMF10HPGD
SCHEMBL3088071 0.86 MIF (0.58) MIFMAPK1NOTUMF10HPGD
SCHEMBL1096681 0.86 MIF (0.53) MIFMAPK1NOTUMF10HPGD
SCHEMBL3095179 0.84 MIF (0.56) MIFMAPK1NOTUMF10HPGD
SCHEMBL3091389 0.84 MIF (0.55) MIFMAPK1NOTUMF10HPGD
SCHEMBL3090091 0.84 MIF (0.55) MIFMAPK1NOTUMF10HPGD
SCHEMBL1097801 0.82 MIF (0.58) MIFMAPK1NOTUMF10HPGD
SCHEMBL3095181 0.82 MIF (0.53) MIFMAPK1NOTUMF10HPGD
SCHEMBL1098096 0.82 MIF (0.55) MIFMAPK1NOTUMF10HPGD

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-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
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