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SCHEMBL7323617

SCHEMBL7323617

COc1ccc(S(=O)(=O)c2c(C(=O)NO)cc(C)c(NCc3cccnc3)c2-c2ccco2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 15/20 0.57
▸ MMP13 P45452 15/20 0.57
▸ MMP1 P03956 14/20 0.57
▸ ADAM17 P78536 12/20 0.57
▸ NAMPT P43490 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ PKM P14618 1/20 0.41
▸ TSHR P16473 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
SCHEMBL7323020 0.92 MMP1 (0.49) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7311682 0.92 MMP1 (0.49) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7319361 0.76 MMP9 (0.56) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7317078 0.76 MMP13 (0.51) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7324861 0.73 NAMPT (0.52) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7317070 0.73 MMP13 (0.82) MMP9MMP13MMP1ADAM17
SCHEMBL7317063 0.73 MMP9 (0.45) MMP9MMP13MMP1ADAM17ALDH1A1
SCHEMBL7410709 0.72 MMP9 (0.52) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7323610 0.72 MMP13 (1.00) MMP9MMP13MMP1ADAM17
SCHEMBL7316683 0.72 NAMPT (0.52) MMP9MMP13MMP1ADAM17NAMPT

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