SCHEMBL7323602

SCHEMBL7323602

COc1ccc(S(=O)(=O)c2ncccc2CNc2c(C(=O)NO)cc(C)cc2-c2ccco2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 14/20 0.53
MMP9 P14780 13/20 0.53
MMP1 P03956 12/20 0.53
ADAM17 P78536 6/20 0.53
MMP2 P08253 6/20 0.40
MMP8 P22894 6/20 0.40
MMP12 P39900 6/20 0.40
MMP14 P50281 6/20 0.40
MMP16 P51512 6/20 0.40
MAPT P10636 4/20 0.39
MMP3 P08254 5/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
UBE2I P63279 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
SAE1 Q9UBE0 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
SCHEMBL7311675 0.93 MMP1 (0.47) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7323008 0.93 MMP1 (0.47) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7317063 0.89 MMP9 (0.45) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7321745 0.87 MMP13 (0.49) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7324220 0.86 MMP13 (0.46) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7317852 0.85 MMP13 (0.44) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7310011 0.82 MMP13 (0.51) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7322248 0.81 MMP13 (0.43) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7352954 0.81 KAT6A (0.40) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7324674 0.81 MMP9 (0.38) MMP13MMP9MMP1ADAM17MMP2

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