SCHEMBL7319361

SCHEMBL7319361

COc1ccc(S(=O)(=O)c2c(NCc3cccnc3)cccc2C(=O)NO)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 14/20 0.56
MMP13 P45452 14/20 0.56
MMP1 P03956 12/20 0.56
ADAM17 P78536 10/20 0.56
NAMPT P43490 2/20 0.55
GAA P10253 1/20 0.50
MMP2 P08253 1/20 0.49
MMP8 P22894 1/20 0.49
MMP12 P39900 1/20 0.49
MMP14 P50281 1/20 0.49
MMP16 P51512 1/20 0.49

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
SCHEMBL7325342 0.90 NAMPT (0.56) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7324861 0.87 NAMPT (0.52) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7316683 0.84 NAMPT (0.52) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7318935 0.84 MMP9 (0.53) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7323200 0.80 MMP13 (0.50) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7410709 0.79 MMP9 (0.52) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7319364 0.79 MMP9 (0.54) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7317524 0.78 NAMPT (0.53) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7316220 0.78 NAMPT (0.53) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7316583 0.78 NAMPT (0.53) MMP9MMP13MMP1ADAM17NAMPT

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
US-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed