SCHEMBL7323200

SCHEMBL7323200

COc1ccc(S(=O)(=O)c2c(C(=O)OC(C)(C)C)ccc(NCc3cccnc3)c2C(=O)NO)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.50
MMP9 P14780 9/20 0.50
MMP1 P03956 9/20 0.50
NAMPT P43490 6/20 0.48
ADAM17 P78536 5/20 0.46
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL7318935 0.93 MMP9 (0.53) MMP13MMP9MMP1NAMPTADAM17
SCHEMBL7318343 0.92 NAMPT (0.49) MMP13MMP9MMP1NAMPTGAA
SCHEMBL7316683 0.89 NAMPT (0.52) MMP13MMP9MMP1NAMPTADAM17
SCHEMBL7322798 0.87 NAMPT (0.49) MMP13MMP9MMP1NAMPTADAM17
SCHEMBL7316583 0.84 NAMPT (0.53) MMP13MMP9MMP1NAMPTADAM17
SCHEMBL7324861 0.81 NAMPT (0.52) MMP13MMP9MMP1NAMPTADAM17
SCHEMBL7319361 0.80 MMP9 (0.56) MMP13MMP9MMP1NAMPTADAM17
SCHEMBL7316220 0.79 NAMPT (0.53) MMP13MMP9MMP1NAMPTADAM17
SCHEMBL7317524 0.79 NAMPT (0.53) MMP13MMP9MMP1NAMPTADAM17
SCHEMBL7410709 0.76 MMP9 (0.52) MMP13MMP9MMP1NAMPTADAM17

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