SCHEMBL7993217

SCHEMBL7993217

O=C(NO)c1c(CN(C(=O)OCc2ccccc2)S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)ccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 8/20 0.63
TRPM8 Q7Z2W7 7/20 0.43
CXCR3 P49682 1/20 0.41
MEP1B Q16820 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
CNR2 P34972 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39

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
SCHEMBL7990496 0.92 MMP3 (0.51) MMP3TRPM8MEP1BKEAP1NFE2L2
SCHEMBL7991336 0.88 MMP3 (0.47) MMP3TRPM8KEAP1NFE2L2CNR2
SCHEMBL7990098 0.80 MMP3 (0.77) MMP3TRPM8KEAP1NFE2L2
SCHEMBL7394926 0.78 MMP3 (1.00) MMP3MMP9ADAM17
SCHEMBL7979094 0.75 MMP3 (0.50) MMP3TRPM8KEAP1NFE2L2
SCHEMBL7993862 0.67 MMP3 (0.71) MMP3
SCHEMBL6411443 0.66 HSD11B1 (0.61) CXCR3
SCHEMBL7979268 0.65 MMP3 (1.00) MMP3MEP1BMMP9MMP13
SCHEMBL7397190 0.64 MMP3 (1.00) MMP3MMP9MMP13
SCHEMBL1170175 0.62 PTGES (0.74) TRPM8CXCR3MEP1BCNR2

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-6288261-B1 DRUGS FOR INHIBITION OF ENZYMES ABBOTT LABORATORIES 2001-09-11 US disclosed