SCHEMBL7359534

SCHEMBL7359534

CN(C)CCSc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc(Cl)cc3)[nH]c2=O)s1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 10/20 0.82
HRH3 Q9Y5N1 1/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
LRRK2 Q5S007 1/20 0.31
MEN1 O00255 1/20 0.31
MITF O75030 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7359539 1.00 SERPINE1 (0.82) SERPINE1HRH3MAPTMAPK1PSEN1
SCHEMBL7358028 0.90 SERPINE1 (1.00) SERPINE1LMNAHPGDPIM1PIM2
SCHEMBL7358033 0.90 SERPINE1 (1.00) SERPINE1LMNAHPGDPIM1PIM2
SCHEMBL7353987 0.89 SERPINE1 (1.00) SERPINE1MAPTMEN1KMT2APIM1
SCHEMBL7363197 0.89 SERPINE1 (0.82) SERPINE1MAPTMEN1MITFALDH1A1
SCHEMBL7353995 0.89 SERPINE1 (1.00) SERPINE1MAPTMEN1KMT2APIM1
SCHEMBL7363192 0.89 SERPINE1 (0.82) SERPINE1MAPTMEN1MITFALDH1A1
SCHEMBL7359303 0.89 SERPINE1 (1.00) SERPINE1HRH3CYP1A2CYP2C9CYP2C19
SCHEMBL7359291 0.89 SERPINE1 (1.00) SERPINE1HRH3CYP1A2CYP2C9CYP2C19
SCHEMBL7357263 0.89 SERPINE1 (0.79) SERPINE1MAPTMEN1ALDH1A1KMT2A

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
EP-0760812-A1 PHARMACEUTICAL DIKETOPIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1997-03-12 EP 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