SCHEMBL12697355

SCHEMBL12697355

C[C@@H](NC(=O)c1coc(Oc2cccc(Br)c2)n1)c1cc(F)c(NS(C)(=O)=O)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.39
KCNQ2 O43526 2/20 0.39
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
ALDH1A1 P00352 3/20 0.37
SCN9A Q15858 1/20 0.36
KLKB1 P03952 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE2A O00408 4/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 1/20 0.34
CA2 P00918 2/20 0.33
ROCK1 Q13464 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL1990614 1.00 KCNQ3 (0.39) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1
SCHEMBL1985908 0.91 KCNQ3 (0.39) KCNQ3KCNQ2KCNQ4KCNQ5KLKB1
SCHEMBL12603598 0.91 KCNQ3 (0.39) KCNQ3KCNQ2KCNQ4KCNQ5KLKB1
SCHEMBL12603590 0.91 KCNQ3 (0.41) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1
SCHEMBL1986290 0.91 KCNQ3 (0.41) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1
SCHEMBL1987453 0.90 PTGER4 (0.40) KCNQ3KCNQ2KCNQ4KCNQ5SCN9A
SCHEMBL12603906 0.90 KCNQ3 (0.39) KCNQ3KCNQ2KCNQ4KCNQ5KLKB1
SCHEMBL12697481 0.90 PTGER4 (0.40) KCNQ3KCNQ2KCNQ4KCNQ5SCN9A
SCHEMBL1660613 0.90 KCNQ3 (0.39) KCNQ3KCNQ2KCNQ4KCNQ5KLKB1
SCHEMBL12605014 0.88 KCNQ3 (0.38) KCNQ3KCNQ2KCNQ4KCNQ5KLKB1

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-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 EP disclosed