SCHEMBL7318036

SCHEMBL7318036

COc1ccc(S(=O)(=O)c2c(OC)c(OC)c(OC)c(N)c2C(=O)N(O)Cc2cccnc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.46
MMP9 P14780 13/20 0.45
MMP2 P08253 4/20 0.45
ALDH1A1 P00352 1/20 0.45
MMP13 P45452 10/20 0.45
MMP1 P03956 9/20 0.45
ADAM17 P78536 6/20 0.45
CXCR3 P49682 1/20 0.42
MMP3 P08254 1/20 0.41
MMP7 P09237 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
SCHEMBL7322223 0.83 NAMPT (0.48) NAMPTMMP9MMP2ALDH1A1MMP13
SCHEMBL7410712 0.83 MMP9 (0.50) NAMPTMMP9MMP2ALDH1A1MMP13
SCHEMBL7314523 0.74 NAMPT (0.55) NAMPTMMP9ALDH1A1MMP13MMP1
SCHEMBL7322218 0.74 NAMPT (0.55) NAMPTMMP9ALDH1A1MMP13MMP1
SCHEMBL7318032 0.71 NAMPT (0.51) NAMPTMMP9ALDH1A1MMP13MMP1
SCHEMBL7311380 0.70 NAMPT (0.48) NAMPTMMP9MMP2ALDH1A1MMP13
SCHEMBL7319935 0.70 NAMPT (0.48) NAMPTMMP9MMP2ALDH1A1MMP13
SCHEMBL7325350 0.70 NAMPT (0.49) NAMPTMMP9MMP2ALDH1A1MMP13
SCHEMBL7324058 0.70 NAMPT (0.49) NAMPTMMP9ALDH1A1MMP13MMP1
SCHEMBL13571158 0.69 MMP9 (0.51) NAMPTMMP9MMP2ALDH1A1MMP13

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