SCHEMBL8013573

SCHEMBL8013573

CC(C(=O)O)S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.55
CA12 O43570 3/20 0.55
CA14 Q9ULX7 1/20 0.55
MMP1 P03956 8/20 0.53
MMP13 P45452 8/20 0.53
MMP9 P14780 7/20 0.53
MMP3 P08254 6/20 0.53
MMP7 P09237 6/20 0.53
MMP14 P50281 1/20 0.50
KMT2A Q03164 1/20 0.50
CA2 P00918 4/20 0.47
CA1 P00915 3/20 0.47
MMP8 P22894 1/20 0.47
CA9 Q16790 2/20 0.45
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
PLCG1 P19174 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
SCHEMBL28230363 0.82 CA1 (0.54) MMP2CA12MMP1MMP13MMP9
SCHEMBL22206134 0.82 CA1 (0.54) MMP2CA12MMP1MMP13MMP9
SCHEMBL1200588 0.82 CA1 (0.53) MMP2CA12MMP1MMP13MMP9
SCHEMBL27183057 0.81 MMP2 (0.51) MMP2CA12CA14MMP1MMP13
SCHEMBL16232170 0.81 MMP2 (0.50) MMP2CA12MMP1MMP13MMP9
SCHEMBL6470795 0.79 SLC1A3 (0.49) CA12KMT2ACA2CA1CA9
SCHEMBL6469773 0.79 GSK3B (0.50) CA2CA1
SCHEMBL23049767 0.78 CA2 (0.48) MMP2CA12MMP9KMT2ACA2
SCHEMBL23049688 0.78 CA2 (0.48) MMP2CA12MMP9KMT2ACA2
SCHEMBL7352846 0.78 MMP13 (0.60) MMP2MMP1MMP13MMP9MMP3

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-6118001-A ANTICANCER AGENT; ANTIARTHRITIC AGENT DARWIN DISCOVERY, LTD. (GB) 2000-09-12 US disclosed