SCHEMBL7319446

SCHEMBL7319446

CCN(CC)Cc1c(N)c(C)c(Cc2ccccc2)c(C(=O)NO)c1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 16/20 0.49
MMP13 P45452 14/20 0.49
MMP1 P03956 12/20 0.49
MMP12 P39900 4/20 0.48
ADAM17 P78536 2/20 0.43
MMP2 P08253 4/20 0.41
MMP8 P22894 3/20 0.41
MMP14 P50281 3/20 0.41
MMP16 P51512 3/20 0.41
MMP3 P08254 2/20 0.41
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
BMP1 P13497 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 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
SCHEMBL7322302 0.91 MMP9 (0.42) MMP9MMP13MMP1MMP12ADAM17
SCHEMBL7311811 0.91 MMP9 (0.42) MMP9MMP13MMP1MMP12ADAM17
SCHEMBL7323399 0.87 MMP9 (0.49) MMP9MMP13MMP1MMP12ADAM17
SCHEMBL7325505 0.86 MMP9 (0.46) MMP9MMP13MMP1MMP12ADAM17
SCHEMBL7316165 0.85 MMP9 (0.48) MMP9MMP13MMP1MMP12ADAM17
SCHEMBL7319004 0.85 MMP9 (0.48) MMP9MMP13MMP1MMP12ADAM17
SCHEMBL7321840 0.85 MMP9 (0.44) MMP9MMP13MMP1MMP12ADAM17
SCHEMBL7317327 0.85 MMP9 (0.46) MMP9MMP13MMP1MMP12ADAM17
SCHEMBL7323529 0.83 MMP9 (0.43) MMP9MMP13MMP1MMP12ADAM17
SCHEMBL7314335 0.82 MMP9 (0.44) MMP9MMP13MMP1MMP12ADAM17

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