SCHEMBL7823959

SCHEMBL7823959

C=CCN(CC=C)C(=O)C=Cc1cc(C)c(NC(c2cccnc2)S(=O)(=O)c2ccc(OC)cc2)c(C(=O)NO)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 15/20 0.43
MMP13 P45452 15/20 0.43
MMP1 P03956 14/20 0.43
ADAM17 P78536 13/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
NAMPT P43490 2/20 0.38
KCNH2 Q12809 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL7566474 1.00 MMP9 (0.43) MMP9MMP13MMP1ADAM17MEN1
SCHEMBL7820315 0.93 MEN1 (0.41) MMP9MMP13MMP1ADAM17MEN1
SCHEMBL7828604 0.91 MMP9 (0.44) MMP9MMP13MMP1ADAM17MEN1
SCHEMBL7445487 0.91 MMP9 (0.44) MMP9MMP13MMP1ADAM17MEN1
SCHEMBL7824531 0.87 MMP13 (0.43) MMP9MMP13MMP1ADAM17MEN1
SCHEMBL7451074 0.87 MMP13 (0.43) MMP9MMP13MMP1ADAM17MEN1
SCHEMBL7444896 0.83 MMP13 (0.55) MMP9MMP13MMP1ADAM17
SCHEMBL7575726 0.83 NAMPT (0.41) MMP9MMP13MMP1ADAM17MEN1
SCHEMBL7837165 0.82 PTGS2 (0.41) MMP9MMP13MMP1ADAM17KMT2A
SCHEMBL7447930 0.82 MMP9 (0.50) MMP9MMP13MMP1ADAM17

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
EP-0938471-B1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO ARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID CO (US) 2001-12-12 EP claimed