SCHEMBL5498050

SCHEMBL5498050

CCCCCCCCS(=O)(=O)N[C@@H](CO)C(=O)NCC(=O)NC(=O)c1ccc(NC(=N)N)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.39
HPN P05981 1/20 0.39
ITGB3 P05106 5/20 0.38
ITGA2B P08514 5/20 0.38
SPHK1 Q9NYA1 6/20 0.37
PTPN1 P18031 1/20 0.37
THRA P10827 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
CA2 P00918 2/20 0.34
SPHK2 Q9NRA0 1/20 0.34
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34

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
Hydrochloric Acid SCHEMBL6543695 0.99 PLAU (0.39) PLAUHPNITGB3ITGA2BSPHK1
SCHEMBL5502070 0.96 ITGB3 (0.41) PLAUHPNITGB3ITGA2BSPHK1
Hydrochloric Acid SCHEMBL6544381 0.95 ITGB3 (0.40) PLAUHPNITGB3ITGA2BSPHK1
SCHEMBL5499067 0.82 F10 (0.42) PLAUHPN
Hydrochloric Acid SCHEMBL6544447 0.81 F10 (0.42) PLAUHPN
SCHEMBL308627 0.80 F2 (0.38) PLAUHPNHDAC1CA2CA1
SCHEMBL4359370 0.80 F2 (0.38) PLAUHPNHDAC1CA2CA1
Hydrochloric Acid SCHEMBL308853 0.80 F10 (0.37) PLAUHPNCA2CA1CA9
SCHEMBL5494187 0.78 F7 (0.46) HDAC1
Hydrochloric Acid SCHEMBL307960 0.77 F7 (0.45) HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453852-B1 SELECTIVE UROKINASE INHIBITORS WILEX AG (DE) 2007-01-17 EP disclosed
EP-1453852-A2 SELECTIVE UROKINASE INHIBITORS Wilex AG (DE) 2004-09-08 EP disclosed
WO-2003053999-A2 SELECTIVE ARYLGUANIDINE PEPTIDES AS UROKINASE INHIBITORS WILEX AG (DE) 2003-07-03 WO disclosed