SCHEMBL7316141

SCHEMBL7316141

Cc1c(N)c(Br)c(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c(C(=O)O)c1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CA4 P22748 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
MMP2 P08253 4/20 0.44
MMP9 P14780 4/20 0.44
MMP13 P45452 4/20 0.44
MMP14 P50281 3/20 0.44
ADAMTS4 O75173 3/20 0.44
ADAM17 P78536 3/20 0.44
ADAMTS5 Q9UNA0 2/20 0.44
MMP1 P03956 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PKM P14618 1/20 0.42
CTRC Q99895 1/20 0.41

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
SCHEMBL7310752 0.91 MMP9 (0.47) CA1CA2CA9CA12CA4
SCHEMBL7318675 0.91 MMP2 (0.45) CA1CA2CA9MMP2MMP9
SCHEMBL7325559 0.91 CA1 (0.47) CA1CA2CA9CA12CA4
SCHEMBL7316684 0.83 MMP9 (0.46) CA1CA2CA9CA12CA4
SCHEMBL7313804 0.83 ALDH1A1 (0.45) CA1CA2CA9MMP2MMP9
SCHEMBL7325505 0.82 MMP9 (0.46) MMP2MMP9MMP13MMP14ADAM17
SCHEMBL7324951 0.82 CTRC (0.43) CA1CA2CA9CA12CA7
SCHEMBL7322659 0.81 MMP2 (0.47) CA1CA2CA9MMP2MMP9
SCHEMBL7322414 0.79 TP53 (0.45) CA1CA2CA9MMP2MMP9
SCHEMBL7325396 0.77 MMP2 (0.41) CA1CA2CA9MMP2MMP9

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