SCHEMBL1387239

SCHEMBL1387239

O=C(CNS(=O)(=O)c1ccc2ccccc2c1)NCC(C(=O)N1CCCCC1)N(C(=O)C1CCNCC1)c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.45
F10 P00742 5/20 0.41
PKM P14618 1/20 0.40
CTSS P25774 1/20 0.40
PLG P00747 3/20 0.40
PLAU P00749 2/20 0.40
ST14 Q9Y5Y6 1/20 0.40
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL7402863 0.93 F10 (0.42) F2F10PKMCTSSPLG
SCHEMBL7403982 0.93 F2 (0.42) F2F10PKMCTSSPLG
SCHEMBL7402184 0.89 TSHR (0.35) F2F10ALDH1A1
SCHEMBL7403619 0.89 L3MBTL1 (0.38) PLAUALDH1A1ITGB3ITGA2B
SCHEMBL7408350 0.85 CTSS (0.43) F2F10PKMCTSSPLAU
SCHEMBL1387237 0.85 F2 (0.43) F2F10PLGPLAUST14
SCHEMBL7395471 0.82 F2 (0.43) F2F10PLGPLAUST14
SCHEMBL7397980 0.81 F2 (0.50) F2F10PLGPLAUST14
SCHEMBL7404942 0.79 F2 (0.43) F2F10PKMCTSSALDH1A1
SCHEMBL7405275 0.79 F10 (0.41) F10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H10506122-A 1998-06-16 JP claimed
EP-0783500-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-07-16 EP claimed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 WO claimed
EP-0783500-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-07-16 EP disclosed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 WO disclosed