SCHEMBL7313502

SCHEMBL7313502

COc1ccc(S(=O)(=O)c2cc(C)c(C(=O)NO)c(Cc3ccccc3)c2N)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 17/20 0.52
MMP9 P14780 16/20 0.52
MMP12 P39900 10/20 0.52
MMP2 P08253 9/20 0.52
MMP8 P22894 9/20 0.52
MMP14 P50281 9/20 0.52
MMP16 P51512 9/20 0.52
MMP1 P03956 13/20 0.52
MMP3 P08254 6/20 0.52
ADAM17 P78536 1/20 0.52
CNR1 P21554 1/20 0.44

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
SCHEMBL7325283 0.91 MMP2 (0.49) MMP13MMP9MMP12MMP2MMP8
SCHEMBL7314697 0.86 MMP2 (0.45) MMP13MMP9MMP12MMP2MMP8
SCHEMBL7323907 0.85 MMP13 (0.56) MMP13MMP9MMP12MMP2MMP8
SCHEMBL7323399 0.84 MMP9 (0.49) MMP13MMP9MMP12MMP2MMP8
SCHEMBL7318272 0.84 MMP13 (0.60) MMP13MMP9MMP12MMP2MMP8
SCHEMBL7321902 0.83 MMP13 (0.56) MMP13MMP9MMP12MMP2MMP8
SCHEMBL7323945 0.83 MMP13 (0.56) MMP13MMP9MMP12MMP2MMP8
SCHEMBL7323355 0.82 MMP13 (0.55) MMP13MMP9MMP12MMP2MMP8
SCHEMBL7316165 0.82 MMP9 (0.48) MMP13MMP9MMP12MMP2MMP8
SCHEMBL7319004 0.82 MMP9 (0.48) MMP13MMP9MMP12MMP2MMP8

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