SCHEMBL7362877

SCHEMBL7362877

CN(C)CCSc1ccc(C=c2[nH]c(=O)c(=Cc3c4ccccc4cc4ccccc34)[nH]c2=O)s1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 9/20 0.72
KAT2B Q92831 1/20 0.35
TNKS O95271 2/20 0.34
HTR7 P34969 2/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
TOP2A P11388 1/20 0.32

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
SCHEMBL7362875 1.00 SERPINE1 (0.72) SERPINE1KAT2BTNKSHTR7HTR1A
SCHEMBL7355821 0.88 SERPINE1 (0.64) SERPINE1
SCHEMBL7355836 0.88 SERPINE1 (0.64) SERPINE1
SCHEMBL8806544 0.85 SERPINE1 (0.68) SERPINE1KAT2B
SCHEMBL7360011 0.85 SERPINE1 (0.77) SERPINE1
SCHEMBL7360006 0.85 SERPINE1 (0.77) SERPINE1
SCHEMBL7359303 0.84 SERPINE1 (1.00) SERPINE1KAT2BHTR7HTR1AHTR2A
SCHEMBL7359291 0.84 SERPINE1 (1.00) SERPINE1KAT2BHTR7HTR1AHTR2A
SCHEMBL7359356 0.82 SERPINE1 (0.70) SERPINE1HTR7HTR1AHTR2A
SCHEMBL7359365 0.82 SERPINE1 (0.70) SERPINE1HTR7HTR1AHTR2A

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
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
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