SCHEMBL7311380

SCHEMBL7311380

COc1ccc(S(=O)(=O)c2c(C)c(N)c(C)c(Cc3cccnc3)c2C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.48
MMP9 P14780 5/20 0.46
MMP1 P03956 3/20 0.46
MMP13 P45452 3/20 0.46
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
ALDH1A1 P00352 2/20 0.42
MMP2 P08253 1/20 0.42
TBXAS1 P24557 1/20 0.42
GAA P10253 1/20 0.41
ADAM17 P78536 1/20 0.40

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
SCHEMBL7319935 0.93 NAMPT (0.48) NAMPTMMP9MMP1MMP13KEAP1
SCHEMBL7311857 0.92 NAMPT (0.46) NAMPTMMP9MMP1MMP13KEAP1
SCHEMBL7354595 0.92 MMP9 (0.48) NAMPTMMP9MMP1MMP13KEAP1
SCHEMBL7324058 0.92 NAMPT (0.49) NAMPTMMP9MMP1MMP13ALDH1A1
SCHEMBL7323477 0.90 NAMPT (0.44) NAMPTMMP9MMP1MMP13KEAP1
SCHEMBL7321756 0.90 MMP13 (0.50) NAMPTMMP9MMP1MMP13GAA
SCHEMBL7322659 0.89 MMP2 (0.47) MMP9MMP1MMP13ALDH1A1MMP2
SCHEMBL7319594 0.87 NAMPT (0.42) NAMPTMMP9MMP1MMP13KEAP1
SCHEMBL7317088 0.86 NAMPT (0.42) NAMPTMMP9MMP1MMP13KEAP1
SCHEMBL7352965 0.86 MMP9 (0.44) NAMPTMMP9MMP1MMP13KEAP1

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