SCHEMBL7317075

SCHEMBL7317075

COc1ccc(S(=O)(=O)c2ncccc2CNc2c(C(=O)O)cc(C)cc2-c2cccs2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.40
MMP1 P03956 5/20 0.39
MMP9 P14780 5/20 0.39
MMP13 P45452 5/20 0.39
ADAM17 P78536 3/20 0.39
POLB P06746 5/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP2 P08253 3/20 0.36
MMP3 P08254 3/20 0.36
MMP8 P22894 3/20 0.36
MMP12 P39900 3/20 0.36
MMP14 P50281 3/20 0.36
MMP16 P51512 3/20 0.36
ASPH Q12797 1/20 0.36
KDM8 Q8N371 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL7319818 0.94 MAPT (0.39) MAPTMMP1MMP9MMP13ADAM17
SCHEMBL7317852 0.93 MMP13 (0.44) MAPTMMP1MMP9MMP13ADAM17
SCHEMBL7319588 0.87 MAPT (0.39) MAPTMMP1MMP9MMP13ADAM17
SCHEMBL7311368 0.86 METAP2 (0.43) MAPTMMP1MMP9MMP13ADAM17
SCHEMBL7311675 0.85 MMP1 (0.47) MAPTMMP1MMP9MMP13ADAM17
SCHEMBL7321871 0.81 MAPT (0.37) MAPTMMP1MMP9MMP13ADAM17
SCHEMBL7311850 0.79 KDM4E (0.42) MAPTMMP1MMP9MMP13ADAM17
SCHEMBL7354583 0.79 MMP13 (0.44) MAPTMMP1MMP9MMP13ADAM17
SCHEMBL7324047 0.79 GABRG2 (0.42) MMP1MMP9MMP13ADAM17TP53
SCHEMBL7311156 0.79 KDM4E (0.44) MAPTMMP1MMP9MMP13ADAM17

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