SCHEMBL11249415

SCHEMBL11249415

COc1nc(NC(=O)NS(=O)(=O)c2ccccc2CC(=O)O)ncc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.42
MMP8 P22894 3/20 0.42
MMP12 P39900 3/20 0.42
MMP13 P45452 3/20 0.42
MMP14 P50281 3/20 0.42
MMP16 P51512 3/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 1/20 0.41
FBP1 P09467 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MMP9 P14780 2/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL11195975 0.81 CA1 (0.41) CA12CA1CA2CA9MAPT
SCHEMBL11042573 0.81 MAPT (0.49) MMP2MMP8MMP12MMP13MMP14
SCHEMBL11289318 0.81 CA1 (0.42) CA12CA1CA2CA9MAPT
SCHEMBL11491109 0.80 CA1 (0.40) CA12CA1CA2CA9MAPT
SCHEMBL11041299 0.80 GAA (0.56) MMP2MMP8MMP12MMP13MMP14
SCHEMBL11481800 0.80 CDK1 (0.48) CA12CA1CA2CA9MAPT
SCHEMBL11040338 0.80 MAPT (0.46) MMP2MMP8MMP12MMP13MMP14
SCHEMBL11269372 0.80 KDM4E (0.41) CA12CA1CA2CA9MAPT
SCHEMBL11049312 0.79 SMN1; SMN2 (0.53) MMP2MMP8MMP12MMP13MMP14
SCHEMBL10683450 0.79 MMP2 (0.42) MMP2MMP8MMP12MMP13MMP14

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-0044209-A1 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-01-20 EP disclosed