SCHEMBL9530660

SCHEMBL9530660

CC1=C(C)C(=O)N(Nc2ccc(C(=O)O)c(S(N)(=O)=O)c2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 2/20 0.40
GLO1 Q04760 2/20 0.40
XPO1 O14980 1/20 0.38
CA1 P00915 6/20 0.37
CA2 P00918 6/20 0.37
CA12 O43570 5/20 0.37
CA9 Q16790 5/20 0.37
CA3 P07451 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA7 P43166 2/20 0.37
CA13 Q8N1Q1 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
CISD1 Q9NZ45 2/20 0.36
CYP2C9 P11712 1/20 0.36
MCL1 Q07820 1/20 0.36
GAA P10253 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
SCHEMBL9738324 0.87 CA2 (0.49) XPO1CA1CA2CA12CA9
SCHEMBL9530201 0.84 CA1 (0.44) CA1CA2CA12CA9CA4
SCHEMBL1725851 0.72 CSNK2A1 (0.53) ALDH1A1HSD17B10GLO1CA1CA2
SCHEMBL9739536 0.70 CA1 (0.33) CA1CA2CA12CA9CISD1
SCHEMBL1725674 0.69 CA12 (0.58) ALDH1A1HSD17B10CA1CA2CA12
SCHEMBL16369640 0.68 ALDH1A1 (0.62) ALDH1A1HSD17B10GLO1CA1CA2
SCHEMBL9532475 0.67 CA1 (0.39) CA1CA2CA12CA9CA4
SCHEMBL7538066 0.67 CA2 (0.53) ALDH1A1HSD17B10GLO1CA1CA2
SCHEMBL9661958 0.67 PKM (0.60) ALDH1A1HSD17B10CA1CA2CA12
SCHEMBL8124720 0.67 XPO1 (0.50) ALDH1A1XPO1GAAMEN1HPGD

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-0384602-B1 N-substituted-3-[(2,3-dimethylmaleimido) amino]-benzenesulfonamide derivatives, preparation process thereof and herbicidal compositions KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-08-04 EP disclosed