SCHEMBL2919481

SCHEMBL2919481

O=S(=O)(Nc1cccc2nc(NC3CCc4ccccc43)ccc12)c1cc(F)c(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 4/20 0.41
SCN5A Q14524 4/20 0.41
SCN8A Q9UQD0 4/20 0.41
GBA1 P04062 1/20 0.37
BRS3 P32247 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FADS1 O60427 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL1616265 1.00 SCN1A (0.41) SCN1ASCN5ASCN8AGBA1BRS3
SCHEMBL1615546 0.93 SCN1A (0.41) SCN1ASCN5ASCN8AGBA1BRS3
SCHEMBL2926162 0.93 SCN1A (0.41) SCN1ASCN5ASCN8AGBA1BRS3
SCHEMBL1616346 0.90 MEN1 (0.46) SCN1ASCN5ASCN8AGBA1KDM4E
SCHEMBL1616498 0.87 PFKFB3 (0.44) SCN1ASCN5ASCN8AGBA1KDM4E
SCHEMBL1613862 0.87 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DSLC40A1
SCHEMBL1615349 0.85 MAP2K4 (0.38) KDM4ELMNASMN1; SMN2PDE4APDE4B
SCHEMBL1616371 0.85 SLC40A1 (0.38) GBA1KDM4ETSHRSLC40A1HTR6
SCHEMBL1615430 0.84 SLC40A1 (0.35) KDM4ELMNATSHRSLC40A1GAA
SCHEMBL2242607 0.82 GBA1 (0.40) SCN1ASCN5ASCN8AGBA1CA1

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
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed