SCHEMBL5330879

SCHEMBL5330879

Clc1ccc(Nc2nccs2)cc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.47
CTSA P10619 1/20 0.47
SCN9A Q15858 2/20 0.45
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
SCN1A P35498 2/20 0.44
SCN8A Q9UQD0 2/20 0.44
SCN5A Q14524 1/20 0.44
MAPT P10636 2/20 0.44
GRM4 Q14833 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
EGFR P00533 3/20 0.43
PTK6 Q13882 1/20 0.43
SYK P43405 2/20 0.42

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
SCHEMBL5305245 0.86 PLA2G7 (0.40) PLA2G7CTSASCN1ASCN8ASCN5A
SCHEMBL3034633 0.76 PLA2G7 (0.43) PLA2G7SCN1ASCN8ASCN5AMAPT
SCHEMBL28151503 0.75 MAPT (0.64) PLA2G7GAAMAPTMEN1ALDH1A1
SCHEMBL2339694 0.74 GCK (0.66) SCN9AGRM4GCK
SCHEMBL20256165 0.74 SCN8A (0.50) CTSASCN9ASCN1ASCN8ASCN5A
SCHEMBL11896454 0.72 PLA2G7 (0.51) PLA2G7GAAKDM4EMEN1ALDH1A1
SCHEMBL3044208 0.72 MAPT (0.52) PLA2G7GAAMAPTKDM4EMEN1
SCHEMBL26662272 0.71 MAPT (0.49) PLA2G7GAAMAPTKDM4EMEN1
SCHEMBL722560 0.70 RAB9A (0.59) PLA2G7GAAMAPTMEN1ALDH1A1
SCHEMBL5329033 0.70 PLA2G7 (0.49) PLA2G7MAPTKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007038387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRUSES AND CANCER YALE UNIVERSITY (US) 2007-04-05 WO disclosed