SCHEMBL7311675

SCHEMBL7311675

COc1ccc(S(=O)(=O)c2ncccc2CNc2c(C(=O)O)cc(C)cc2-c2ccco2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.47
MMP9 P14780 3/20 0.47
MMP13 P45452 3/20 0.47
ADAM17 P78536 3/20 0.47
MAPT P10636 9/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 5/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ASPH Q12797 1/20 0.38
KDM8 Q8N371 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP2 P08253 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
SCHEMBL7323008 0.94 MMP1 (0.47) MMP1MMP9MMP13ADAM17MAPT
SCHEMBL7323602 0.93 MMP13 (0.53) MMP1MMP9MMP13ADAM17MAPT
SCHEMBL7352954 0.88 KAT6A (0.40) MMP1MMP9MMP13ADAM17MAPT
SCHEMBL7311368 0.86 METAP2 (0.43) MMP1MMP9MMP13ADAM17MAPT
SCHEMBL7317075 0.85 MAPT (0.40) MMP1MMP9MMP13ADAM17MAPT
SCHEMBL7317063 0.82 MMP9 (0.45) MMP1MMP9MMP13ADAM17MAPT
SCHEMBL7324674 0.82 MMP9 (0.38) MMP1MMP9MMP13ADAM17MAPT
SCHEMBL7354583 0.80 MMP13 (0.44) MMP1MMP9MMP13ADAM17MAPT
SCHEMBL7311850 0.80 KDM4E (0.42) MMP1MMP9MMP13ADAM17MAPT
SCHEMBL7324047 0.80 GABRG2 (0.42) MMP1MMP9MMP13ADAM17TP53

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