SCHEMBL7315652

SCHEMBL7315652

COc1ccc(S(=O)(=O)c2c(C)c(N)c(C)c(Cc3ccccc3Br)c2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.49
MMP12 P39900 11/20 0.49
MMP9 P14780 11/20 0.49
MMP13 P45452 9/20 0.49
MMP8 P22894 8/20 0.49
MMP14 P50281 8/20 0.49
MMP16 P51512 8/20 0.49
MMP3 P08254 5/20 0.49
MMP1 P03956 5/20 0.49
ADAM17 P78536 1/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.43
TP53 P04637 2/20 0.41
ANO1 Q5XXA6 1/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KEAP1 Q14145 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
SCHEMBL7314232 0.91 MMP2 (0.48) MMP2MMP12MMP9MMP13MMP8
SCHEMBL7324634 0.90 MMP9 (0.50) MMP2MMP12MMP9MMP13MMP8
SCHEMBL7322659 0.88 MMP2 (0.47) MMP2MMP12MMP9MMP13MMP8
SCHEMBL7325574 0.83 MMP2 (0.40) MMP2MMP12MMP9MMP13MMP8
SCHEMBL7317729 0.83 RAPGEF4 (0.43) MMP2MMP12MMP9MMP13MMP8
SCHEMBL7318675 0.83 MMP2 (0.45) MMP2MMP12MMP9MMP13MMP8
SCHEMBL7316126 0.82 TAS2R14 (0.45) MMP2MMP12MMP9MMP13MMP8
SCHEMBL7311552 0.81 RAPGEF4 (0.41) MMP2MMP12MMP9MMP13MMP8
SCHEMBL7323399 0.80 MMP9 (0.49) MMP2MMP12MMP9MMP13MMP8
SCHEMBL7318612 0.80 MMP2 (0.39) MMP2MMP12MMP9MMP13MMP8

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