SCHEMBL7316303

SCHEMBL7316303

C=CCN(CC=C)C(=O)C=Cc1c(N)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c(C(=O)NO)c1Cc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP9 P14780 17/20 0.41
MMP13 P45452 15/20 0.41
MMP1 P03956 14/20 0.41
ADAM17 P78536 12/20 0.41
NAMPT P43490 1/20 0.39
MMP2 P08253 2/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL7319068 0.93 MEN1 (0.43) MEN1KMT2AMMP9MMP13MMP1
SCHEMBL7313925 0.92 MEN1 (0.41) MEN1KMT2AMMP9MMP13MMP1
SCHEMBL7317842 0.91 MMP9 (0.45) MEN1KMT2AMMP9MMP13MMP1
SCHEMBL7321756 0.83 MMP13 (0.50) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7311152 0.83 MMP9 (0.42) MEN1KMT2AMMP9MMP13MMP1
SCHEMBL7317943 0.82 MMP9 (0.41) MEN1KMT2AMMP9MMP13MMP1
SCHEMBL7320922 0.82 NAMPT (0.44) MEN1KMT2AMMP9MMP13MMP1
SCHEMBL7310019 0.82 MMP13 (0.51) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7317379 0.82 MMP13 (0.50) MMP9MMP13MMP1ADAM17NAMPT
SCHEMBL7322257 0.81 MMP13 (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