SCHEMBL7320922

SCHEMBL7320922

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.44
MMP1 P03956 3/20 0.42
MMP9 P14780 3/20 0.42
MMP13 P45452 3/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ADAM17 P78536 2/20 0.39
TBXAS1 P24557 3/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL7311152 0.91 MMP9 (0.42) NAMPTMMP1MMP9MMP13MEN1
SCHEMBL7321334 0.91 NAMPT (0.42) NAMPTMMP1MMP9MMP13THRB
SCHEMBL7319068 0.90 MEN1 (0.43) NAMPTMMP1MMP9MMP13MEN1
SCHEMBL7324058 0.88 NAMPT (0.49) NAMPTMMP1MMP9MMP13ALDH1A1
SCHEMBL7319145 0.86 NAMPT (0.47) NAMPTMMP1MMP9MMP13THRB
SCHEMBL7317439 0.86 MMP13 (0.49) NAMPTMMP1MMP9MMP13ADAM17
SCHEMBL7317943 0.86 MMP9 (0.41) NAMPTMMP1MMP9MMP13MEN1
SCHEMBL7320893 0.84 NAMPT (0.46) NAMPTMMP1MMP9MMP13ALDH1A1
SCHEMBL7313925 0.84 MEN1 (0.41) NAMPTMMP1MMP9MMP13MEN1
SCHEMBL7317842 0.84 MMP9 (0.45) NAMPTMMP1MMP9MMP13MEN1

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