SCHEMBL7311152

SCHEMBL7311152

COC(=O)c1c(Cc2cccnc2)c(C=CC(=O)N(C)C)c(N)c(C)c1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 8/20 0.42
MMP13 P45452 8/20 0.42
NAMPT P43490 7/20 0.42
MMP1 P03956 7/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADAM17 P78536 6/20 0.40
THRB P10828 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL7317943 0.93 MMP9 (0.41) MMP9MMP13NAMPTMMP1MEN1
SCHEMBL7317842 0.92 MMP9 (0.45) MMP9MMP13NAMPTMMP1MEN1
SCHEMBL7320922 0.91 NAMPT (0.44) MMP9MMP13NAMPTMMP1MEN1
SCHEMBL7319068 0.90 MEN1 (0.43) MMP9MMP13NAMPTMMP1MEN1
SCHEMBL7321334 0.89 NAMPT (0.42) MMP9MMP13NAMPTMMP1ADAM17
SCHEMBL7324058 0.86 NAMPT (0.49) MMP9MMP13NAMPTMMP1ADAM17
SCHEMBL7317439 0.84 MMP13 (0.49) MMP9MMP13NAMPTMMP1ADAM17
SCHEMBL7319145 0.84 NAMPT (0.47) MMP9MMP13NAMPTMMP1ADAM17
SCHEMBL7313925 0.84 MEN1 (0.41) MMP9MMP13NAMPTMMP1MEN1
SCHEMBL7316303 0.83 MEN1 (0.42) MMP9MMP13NAMPTMMP1MEN1

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