SCHEMBL7354535

SCHEMBL7354535

CN(C)CCSc1ccc(C=c2[nH]c(=O)c(=Cc3ccccn3)[nH]c2=O)s1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 10/20 0.72
CHRM2 P08172 4/20 0.39
CHRM4 P08173 4/20 0.39
CHRM5 P08912 4/20 0.39
CHRM1 P11229 4/20 0.39
CHRM3 P20309 4/20 0.39
HTR7 P34969 2/20 0.34
RECQL P46063 1/20 0.34
KAT2B Q92831 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL7354523 1.00 SERPINE1 (0.72) SERPINE1CHRM2CHRM4CHRM5CHRM1
SCHEMBL7359356 0.84 SERPINE1 (0.70) SERPINE1HTR7KDM4E
SCHEMBL7359365 0.84 SERPINE1 (0.70) SERPINE1HTR7KDM4E
SCHEMBL7359291 0.84 SERPINE1 (1.00) SERPINE1HTR7KAT2B
SCHEMBL7359303 0.84 SERPINE1 (1.00) SERPINE1HTR7KAT2B
SCHEMBL7357820 0.82 SERPINE1 (0.80) SERPINE1CHRM2CHRM4CHRM5CHRM1
SCHEMBL7357832 0.82 SERPINE1 (0.80) SERPINE1CHRM2CHRM4CHRM5CHRM1
SCHEMBL7363228 0.82 SERPINE1 (0.66) SERPINE1HTR7KAT2B
SCHEMBL7363234 0.82 SERPINE1 (0.66) SERPINE1HTR7KAT2B
SCHEMBL8806544 0.81 SERPINE1 (0.68) SERPINE1KAT2BKDM4E

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