SCHEMBL7362456

SCHEMBL7362456

CSc1ccc(C=c2[nH]c(=O)c(=Cc3ccc(SCCN(C)C)s3)[nH]c2=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 10/20 0.80
PRF1 P14222 1/20 0.34
GSK3B P49841 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
PSMB2 P49721 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
SCHEMBL7362452 1.00 SERPINE1 (0.80) SERPINE1PRF1GSK3BALDH1A1GAA
SCHEMBL7358033 0.89 SERPINE1 (1.00) SERPINE1
SCHEMBL7358028 0.89 SERPINE1 (1.00) SERPINE1
SCHEMBL7353995 0.88 SERPINE1 (1.00) SERPINE1MAPTKMT2A
SCHEMBL7363192 0.88 SERPINE1 (0.82) SERPINE1ALDH1A1GAAMAPTNPC1
SCHEMBL7363197 0.88 SERPINE1 (0.82) SERPINE1ALDH1A1GAAMAPTNPC1
SCHEMBL7359539 0.88 SERPINE1 (0.82) SERPINE1ALDH1A1MAPTKMT2A
SCHEMBL7359534 0.88 SERPINE1 (0.82) SERPINE1ALDH1A1MAPTKMT2A
SCHEMBL7353987 0.88 SERPINE1 (1.00) SERPINE1MAPTKMT2A
SCHEMBL7359303 0.88 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 3 patents. claimed = in the patent's claims; disclosed = body only.

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