SCHEMBL7359365

SCHEMBL7359365

CN(C)CCSc1ccc(C=c2[nH]c(=O)c(=Cc3ccc4ccccc4n3)[nH]c2=O)s1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 9/20 0.70
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
PIM1 P11309 1/20 0.36
MYC P01106 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL7359356 1.00 SERPINE1 (0.70) SERPINE1HTR1AHTR2AHTR7PIM1
SCHEMBL7354523 0.84 SERPINE1 (0.72) SERPINE1HTR7KDM4E
SCHEMBL7354535 0.84 SERPINE1 (0.72) SERPINE1HTR7KDM4E
SCHEMBL7360006 0.83 SERPINE1 (0.77) SERPINE1PIM1KDM4EMAPT
SCHEMBL7360011 0.83 SERPINE1 (0.77) SERPINE1PIM1KDM4EMAPT
SCHEMBL7359291 0.82 SERPINE1 (1.00) SERPINE1HTR1AHTR2AHTR7CYP1A2
SCHEMBL7359303 0.82 SERPINE1 (1.00) SERPINE1HTR1AHTR2AHTR7CYP1A2
SCHEMBL7362875 0.82 SERPINE1 (0.72) SERPINE1HTR1AHTR2AHTR7
SCHEMBL7362877 0.82 SERPINE1 (0.72) SERPINE1HTR1AHTR2AHTR7
SCHEMBL7363228 0.80 SERPINE1 (0.66) SERPINE1HTR1AHTR2AHTR7CYP1A2

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