SCHEMBL7363678

SCHEMBL7363678

CC(C)/C=c1\[nH]c(=O)/c(=C/c2ccc(SCCN(C)C)s2)[nH]c1=O

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 9/20 0.72
MYC P01106 1/20 0.32
HTR7 P34969 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
SCHEMBL7363682 1.00 SERPINE1 (0.72) SERPINE1MYCHTR7
SCHEMBL7359291 0.84 SERPINE1 (1.00) SERPINE1HTR7
SCHEMBL7359303 0.84 SERPINE1 (1.00) SERPINE1HTR7
SCHEMBL7358033 0.83 SERPINE1 (1.00) SERPINE1
SCHEMBL7354011 0.83 SERPINE1 (0.71) SERPINE1
SCHEMBL7354003 0.83 SERPINE1 (0.71) SERPINE1
SCHEMBL7358028 0.83 SERPINE1 (1.00) SERPINE1
SCHEMBL7363192 0.82 SERPINE1 (0.82) SERPINE1
SCHEMBL7363197 0.82 SERPINE1 (0.82) SERPINE1
SCHEMBL7353995 0.82 SERPINE1 (1.00) SERPINE1HTR7

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