SCHEMBL4784848

SCHEMBL4784848

CC(C)(C)OC(=O)Nc1ccsc1OC(=O)NN

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.44
NPC1 O15118 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 1/20 0.35
AAK1 Q2M2I8 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
PSMB8 P28062 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
BRD9 Q9H8M2 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6242277 0.87 METAP1 (0.46) METAP1NPC1CA1CA12CA9
SCHEMBL4785507 0.84 METAP1 (0.44) METAP1NPC1CA1CA12CA9
SCHEMBL5620033 0.79 METAP1 (0.47) METAP1NPC1LMNAPOLBMAPT
SCHEMBL9291119 0.77 METAP1 (0.50) METAP1NPC1CA1CA2CA12
SCHEMBL14510093 0.76 METAP1 (0.49) METAP1NPC1CA1CA12CA9
SCHEMBL395773 0.75 METAP1 (0.48) METAP1NPC1CA1CA12CA9
SCHEMBL437283 0.75 METAP1 (0.48) METAP1NPC1CA1CA12CA9
SCHEMBL11564693 0.75 METAP1 (0.48) METAP1NPC1CA1CA2CA12
SCHEMBL7461547 0.74 METAP1 (0.47) METAP1NPC1CA1CA2CA12
SCHEMBL429230 0.74 PTPN2 (0.57) METAP1NPC1RXFP1LMNASMN1; SMN2

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-1597247-B1 SUBSTITUTED 3-(BENZOYLUREIDO)-THIOPHENE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF SANOFI AVENTIS DEUTSCHLAND (DE) 2008-07-23 EP disclosed
EP-1597247-A1 SUBSTITUTED 3-(BENZOYLUREIDO)-THIOPHENE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
WO-2004072060-A1 SUBSTITUTED 3-(BENZOYLUREIDO)-THIOPHENE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 WO disclosed