SCHEMBL7355877

SCHEMBL7355877

CN(C)CCCCCCSc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccccc3)[nH]c2=O)s1

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 13/20 0.84
HRH3 Q9Y5N1 1/20 0.36
RAF1 P04049 1/20 0.35
CYP1A2 P05177 1/20 0.35
CDK1 P06493 1/20 0.35
CYP2C9 P11712 1/20 0.35
CCNB1 P14635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
GP6 Q9HCN6 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
MPO P05164 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
SCHEMBL7355888 1.00 SERPINE1 (0.84) SERPINE1HRH3RAF1CYP1A2CDK1
SCHEMBL7359303 0.91 SERPINE1 (1.00) SERPINE1HRH3RAF1CYP1A2CDK1
SCHEMBL7359291 0.91 SERPINE1 (1.00) SERPINE1HRH3RAF1CYP1A2CDK1
SCHEMBL7363136 0.84 SERPINE1 (0.78) SERPINE1HRH3RAF1CYP1A2CDK1
SCHEMBL7363141 0.84 SERPINE1 (0.78) SERPINE1HRH3RAF1CYP1A2CDK1
SCHEMBL7358028 0.82 SERPINE1 (1.00) SERPINE1
SCHEMBL7358033 0.82 SERPINE1 (1.00) SERPINE1
SCHEMBL7357832 0.81 SERPINE1 (0.80) SERPINE1
SCHEMBL7353995 0.81 SERPINE1 (1.00) SERPINE1MEN1KMT2A
SCHEMBL7363197 0.81 SERPINE1 (0.82) SERPINE1MEN1KMT2A

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