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SCHEMBL7322798

SCHEMBL7322798

COc1ccc(S(=O)(=O)c2c(C(=O)OC(C)(C)C)ccc(NCc3cccnc3)c2C=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 9/20 0.49
▸ MMP1 P03956 2/20 0.47
▸ MMP9 P14780 2/20 0.47
▸ MMP13 P45452 2/20 0.47
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ ADAM17 P78536 1/20 0.41

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
SCHEMBL7316220 0.92 NAMPT (0.53) NAMPTMMP1MMP9MMP13GAA
SCHEMBL7318343 0.88 NAMPT (0.49) NAMPTMMP1MMP9MMP13GAA
SCHEMBL7323200 0.87 MMP13 (0.50) NAMPTMMP1MMP9MMP13GAA
SCHEMBL7317524 0.80 NAMPT (0.53) NAMPTMMP1MMP9MMP13GAA
SCHEMBL7316583 0.80 NAMPT (0.53) NAMPTMMP1MMP9MMP13GAA
SCHEMBL7318935 0.79 MMP9 (0.53) NAMPTMMP1MMP9MMP13GAA
SCHEMBL7325342 0.76 NAMPT (0.56) NAMPTMMP1MMP9MMP13GAA
SCHEMBL7316683 0.75 NAMPT (0.52) NAMPTMMP1MMP9MMP13GAA
SCHEMBL7324861 0.75 NAMPT (0.52) NAMPTMMP1MMP9MMP13GAA
SCHEMBL7322461 0.74 LMNA (0.37) NAMPTMMP1MMP9MMP13GAA

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