SCHEMBL3256136

SCHEMBL3256136

CCC(C(=O)O)c1cnc(NS(=O)(=O)c2c(F)cc(F)cc2F)s1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 13/20 0.38
PSEN2 P49810 13/20 0.38
APH1B Q8WW43 13/20 0.38
NCSTN Q92542 13/20 0.38
APH1A Q96BI3 13/20 0.38
PSENEN Q9NZ42 13/20 0.38
SCN1A P35498 4/20 0.38
SCN5A Q14524 4/20 0.38
SCN8A Q9UQD0 4/20 0.38
PFKFB4 Q16877 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34

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
SCHEMBL3253281 0.86 SCN1A (0.44) SCN1ASCN5ASCN8A
SCHEMBL3258919 0.82 GAA (0.41) SCN1ASCN5ASCN8A
SCHEMBL3256058 0.81 MEP1B (0.42) SCN1ASCN5ASCN8A
SCHEMBL3257453 0.81 SCN8A (0.40) SCN1ASCN5ASCN8AAKR1C3AKR1C2
SCHEMBL3255525 0.80 SCN8A (0.44) SCN1ASCN5ASCN8A
SCHEMBL3255842 0.80 NMT1 (0.43) SCN1ASCN5ASCN8APFKFB4
SCHEMBL3256685 0.79 SCN8A (0.37) SCN1ASCN5ASCN8APFKFB4
SCHEMBL3256693 0.79 ACLY (0.40) SCN1ASCN5ASCN8A
SCHEMBL3259074 0.77 HTT (0.49) SCN1ASCN5ASCN8A
SCHEMBL3259225 0.77 TDP1 (0.45) SCN1ASCN5ASCN8A

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-1461325-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2010-05-26 EP claimed