SCHEMBL28078707

SCHEMBL28078707

NC(=O)c1cccc(F)c1S(N)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
BCHE P06276 1/20 0.42
PBRM1 Q86U86 1/20 0.42
MAOB P27338 1/20 0.41
PTGES2 Q9H7Z7 2/20 0.41
ALB P02768 1/20 0.40
MAPK8 P45983 1/20 0.40
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL23849491 0.86 KDM4E (0.52) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL3860114 0.85 ALB (0.53) ALDH1A1KDM4EHPGDCES2CES1
SCHEMBL7029203 0.80 CA1 (0.57) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL677588 0.80 CA1 (0.52) PTGES2CA12CA1CA2CA9
SCHEMBL5159679 0.79 ALOX15 (0.50) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL11288883 0.78 ALDH1A1 (0.44) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL7031771 0.76 TSHR (0.53) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL7029586 0.76 NPC1 (0.48) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28078714 0.75 CTNNB1 (0.50) CA12CA1CA2CA9CA7
Trifluoroacetic Acid SCHEMBL30333105 0.74 CA1 (0.42) CES2CES1PTGES2CA12CA1

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
CN-105683157-A Sulfonamides as modulators of sodium channels 沃泰克斯药物股份有限公司 2016-06-15 CN disclosed