SCHEMBL7360011

SCHEMBL7360011

CN(C)CCSc1ccc(C=c2[nH]c(=O)c(=Cc3ccc4ccccc4c3)[nH]c2=O)s1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 10/20 0.77
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
AKR1B1 P15121 1/20 0.33
PIM1 P11309 1/20 0.33
RAB9A P51151 1/20 0.33
PPARG P37231 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
SCHEMBL7360006 1.00 SERPINE1 (0.77) SERPINE1MEN1KMT2AKDM4EALDH1A1
SCHEMBL7359291 0.87 SERPINE1 (1.00) SERPINE1
SCHEMBL7359303 0.87 SERPINE1 (1.00) SERPINE1
SCHEMBL7359738 0.85 SERPINE1 (0.74) SERPINE1
SCHEMBL7359731 0.85 SERPINE1 (0.74) SERPINE1
SCHEMBL7362875 0.85 SERPINE1 (0.72) SERPINE1
SCHEMBL7357253 0.85 SERPINE1 (0.79) SERPINE1MEN1KMT2AALDH1A1GAA
SCHEMBL7357263 0.85 SERPINE1 (0.79) SERPINE1MEN1KMT2AALDH1A1GAA
SCHEMBL7362877 0.85 SERPINE1 (0.72) SERPINE1
SCHEMBL7362557 0.84 SERPINE1 (0.79) SERPINE1MEN1KMT2AAKR1B1PIM1

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