SCHEMBL7325112

SCHEMBL7325112

CCN(C(=O)C=Cc1c(Cc2cccnc2)c(N)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1C(=O)NO)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 15/20 0.41
MMP13 P45452 15/20 0.41
MMP1 P03956 14/20 0.41
ADAM17 P78536 12/20 0.41
TRPM8 Q7Z2W7 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NAMPT P43490 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7325132 0.94 MEN1 (0.40) MMP9MMP13MMP1ADAM17TRPM8
SCHEMBL7318361 0.93 TRPM8 (0.40) MMP9MMP13MMP1ADAM17TRPM8
SCHEMBL7317842 0.84 MMP9 (0.45) MMP9MMP13MMP1ADAM17MEN1
SCHEMBL7317379 0.82 MMP13 (0.50) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7322257 0.82 MMP13 (0.48) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7316303 0.81 MEN1 (0.42) MMP9MMP13MMP1ADAM17MEN1
SCHEMBL7321756 0.81 MMP13 (0.50) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7310019 0.79 MMP13 (0.51) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7317943 0.79 MMP9 (0.41) MMP9MMP13MMP1ADAM17MEN1
SCHEMBL7311152 0.78 MMP9 (0.42) MMP9MMP13MMP1ADAM17MEN1

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