SCHEMBL7352965

SCHEMBL7352965

COc1ccc(S(=O)(=O)c2c(C)c(N)c(-c3ccco3)c(Cc3cccnc3)c2C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 4/20 0.44
MMP1 P03956 2/20 0.44
MMP13 P45452 2/20 0.44
ADAM17 P78536 1/20 0.44
NAMPT P43490 8/20 0.42
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MMP2 P08253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TBXAS1 P24557 1/20 0.37
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36

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
SCHEMBL7324688 0.93 MMP1 (0.46) MMP9MMP1MMP13ADAM17NAMPT
SCHEMBL7317078 0.92 MMP13 (0.51) MMP9MMP1MMP13ADAM17NAMPT
SCHEMBL7323477 0.88 NAMPT (0.44) MMP9MMP1MMP13ADAM17NAMPT
SCHEMBL7311380 0.86 NAMPT (0.48) MMP9MMP1MMP13ADAM17NAMPT
SCHEMBL7319594 0.85 NAMPT (0.42) MMP9MMP1MMP13ADAM17NAMPT
SCHEMBL7319935 0.85 NAMPT (0.48) MMP9MMP1MMP13ADAM17NAMPT
SCHEMBL7354595 0.84 MMP9 (0.48) MMP9MMP1MMP13ADAM17NAMPT
SCHEMBL7311857 0.84 NAMPT (0.46) MMP9MMP1MMP13ADAM17NAMPT
SCHEMBL7312212 0.83 NAMPT (0.41) MMP9MMP1MMP13NAMPTKEAP1
SCHEMBL7321470 0.83 NAMPT (0.41) MMP9MMP1MMP13ADAM17NAMPT

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