SCHEMBL7359738

SCHEMBL7359738

CN(C)CCSc1ccc(C=c2[nH]c(=O)c(=Cc3ccc(Cl)c(Cl)c3)[nH]c2=O)s1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 9/20 0.74
IGF1R P08069 1/20 0.34
NAT1 P18440 1/20 0.32
PTGS2 P35354 1/20 0.31
ENPP2 Q13822 1/20 0.30
IKBKB O14920 1/20 0.30

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
SCHEMBL7359731 1.00 SERPINE1 (0.74) SERPINE1IGF1RNAT1PTGS2ENPP2
SCHEMBL7359539 0.89 SERPINE1 (0.82) SERPINE1
SCHEMBL7359534 0.89 SERPINE1 (0.82) SERPINE1
SCHEMBL7357263 0.88 SERPINE1 (0.79) SERPINE1
SCHEMBL7357253 0.88 SERPINE1 (0.79) SERPINE1
SCHEMBL7358033 0.85 SERPINE1 (1.00) SERPINE1
SCHEMBL7358028 0.85 SERPINE1 (1.00) SERPINE1
SCHEMBL7360011 0.85 SERPINE1 (0.77) SERPINE1
SCHEMBL7360006 0.85 SERPINE1 (0.77) SERPINE1
SCHEMBL7353995 0.84 SERPINE1 (1.00) SERPINE1

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-0760812-A1 PHARMACEUTICAL DIKETOPIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1997-03-12 EP claimed
US-5750530-A PLASMINOGEN ACTIVATOR INHIBITORS XENOVA LIMITED (GB) 1998-05-12 US disclosed
EP-0760812-A1 PHARMACEUTICAL DIKETOPIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1997-03-12 EP disclosed
WO-1995032190-A2 PHARMACEUTICAL DIKETOPIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1995-11-30 WO disclosed