SCHEMBL7317842

SCHEMBL7317842

COc1ccc(S(=O)(=O)c2c(C)c(N)c(C=CC(=O)N(C)C)c(Cc3cccnc3)c2C(=O)NO)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 16/20 0.45
MMP13 P45452 16/20 0.45
MMP1 P03956 15/20 0.45
ADAM17 P78536 13/20 0.43
NAMPT P43490 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 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
SCHEMBL7311152 0.92 MMP9 (0.42) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7317943 0.92 MMP9 (0.41) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7316303 0.91 MEN1 (0.42) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7321756 0.86 MMP13 (0.50) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7310019 0.85 MMP13 (0.51) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7317379 0.85 MMP13 (0.50) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7322257 0.84 MMP13 (0.48) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7325112 0.84 MMP9 (0.41) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7320922 0.84 NAMPT (0.44) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7319068 0.83 MEN1 (0.43) 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