SCHEMBL1387213

SCHEMBL1387213

O=C(CNS(=O)(=O)c1ccc2ccccc2c1)NC(Cc1ccccc1)CN(C(=O)C1CCNCC1)c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 2/20 0.42
NPY5R Q15761 2/20 0.40
PLAU P00749 2/20 0.40
F2 P00734 4/20 0.40
PKM P14618 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CTSS P25774 1/20 0.39
F10 P00742 3/20 0.39
IDO1 P14902 1/20 0.38
KAT6A Q92794 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
SCHEMBL7398649 0.90 ITGB3 (0.43) PLATNPY5RPLAUF2PKM
SCHEMBL8488658 0.86 PLAT (0.50) PLATNPY5RPLAUF2PKM
SCHEMBL7408339 0.85 PLAT (0.42) PLATPLAUPKMHDAC3HDAC4
SCHEMBL1387237 0.83 F2 (0.43) PLAUF2F10PLGST14
SCHEMBL7403220 0.82 PKM (0.51) F2PKMHDAC3HDAC4HDAC1
SCHEMBL7402857 0.82 F10 (0.43) PLAUF2PKMF10PLG
SCHEMBL7395471 0.80 F2 (0.43) PLAUF2F10PLGST14
SCHEMBL7408433 0.79 PLAT (0.41) PLATPLAUF2PKMHDAC3
SCHEMBL1387418 0.76 ITGB3 (0.43) PLATNPY5RPLAUF2F10
SCHEMBL7397980 0.76 F2 (0.50) PLAUF2F10PLGST14

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