SCHEMBL7316683

SCHEMBL7316683

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.52
MMP9 P14780 10/20 0.49
MMP13 P45452 10/20 0.49
MMP1 P03956 9/20 0.49
ADAM17 P78536 7/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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) NAMPTMMP9MMP13MMP1ADAM17
SCHEMBL7323200 0.89 MMP13 (0.50) NAMPTMMP9MMP13MMP1ADAM17
SCHEMBL7316583 0.88 NAMPT (0.53) NAMPTMMP9MMP13MMP1ADAM17
SCHEMBL7325342 0.85 NAMPT (0.56) NAMPTMMP9MMP13MMP1ADAM17
SCHEMBL7324861 0.84 NAMPT (0.52) NAMPTMMP9MMP13MMP1ADAM17
SCHEMBL7318343 0.84 NAMPT (0.49) NAMPTMMP9MMP13MMP1GAA
SCHEMBL7319361 0.84 MMP9 (0.56) NAMPTMMP9MMP13MMP1ADAM17
SCHEMBL7410709 0.80 MMP9 (0.52) NAMPTMMP9MMP13MMP1ADAM17
SCHEMBL7316691 0.79 MMP13 (0.48) NAMPTMMP9MMP13MMP1ADAM17
SCHEMBL7317524 0.79 NAMPT (0.53) NAMPTMMP9MMP13MMP1ADAM17

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