SCHEMBL7324868

SCHEMBL7324868

COc1ccc(S(=O)(=O)c2c(C(=O)NO)cc(Cc3cccnc3)c(N)c2CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 19/20 0.50
MMP13 P45452 19/20 0.50
MMP1 P03956 18/20 0.50
ADAM17 P78536 16/20 0.50
NAMPT P43490 1/20 0.46

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
SCHEMBL7320609 0.92 MMP9 (0.49) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7317531 0.91 NAMPT (0.47) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7318793 0.90 MMP9 (0.53) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7315190 0.89 MMP9 (0.46) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7319364 0.85 MMP9 (0.54) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7316691 0.85 MMP13 (0.48) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7318942 0.85 MMP13 (0.52) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7322044 0.84 NAMPT (0.47) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7320002 0.83 MMP9 (0.47) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7322273 0.81 NAMPT (0.48) 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