SCHEMBL7971148

SCHEMBL7971148

O=C1c2ccc3ccc4sccc4c3c2C(=O)N1CCNCCNCCN1C(=O)c2ccc3ccc4sccc4c3c2C1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HEXA P06865 9/20 0.47
HEXB P07686 9/20 0.47
OGA O60502 2/20 0.47
SIRT1 Q96EB6 3/20 0.44
TERT O14746 1/20 0.43
HTR1A P08908 3/20 0.37
DRD2 P14416 3/20 0.37
HTR2A P28223 3/20 0.37
DYRK3 O43781 1/20 0.36
RPS6KB1 P23443 1/20 0.36
EPHA2 P29317 1/20 0.36
FLT4 P35916 1/20 0.36
CSNK2A1 P68400 1/20 0.36

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
SCHEMBL8030552 0.93 HEXA (0.41) HEXAHEXBOGASIRT1TERT
SCHEMBL8138820 0.80 TERT (0.45) HEXAHEXBTERTHTR1ADRD2
SCHEMBL8138008 0.80 HEXA (0.58) HEXAHEXBOGASIRT1TERT
SCHEMBL7982341 0.77 TERT (0.40) TERTHTR1ADRD2HTR2A
SCHEMBL8131231 0.77 HEXA (0.48) HEXAHEXBOGASIRT1TERT
Bromide SCHEMBL7985004 0.76 HEXA (0.47) HEXAHEXBOGASIRT1TERT
SCHEMBL8129190 0.75 SIRT1 (0.63) HEXAHEXBOGASIRT1TERT
SCHEMBL7982362 0.74 HEXA (0.51) HEXAHEXBOGASIRT1TERT
SCHEMBL8126116 0.74 HEXA (0.54) HEXAHEXBOGASIRT1TERT
SCHEMBL8125966 0.72 SIRT1 (0.49) HEXAHEXBOGASIRT1TERT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300340-B1 USEFUL FOR THERAPY OF CANCER AND SOLID TUMORS ADIR ET COMPAGNIE (FR) 2001-10-09 US disclosed
EP-0820985-B1 Bis imide derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-08-30 EP disclosed