SCHEMBL15314697

SCHEMBL15314697

O=CS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.52
PLCG1 P19174 1/20 0.50
CA12 O43570 5/20 0.46
CA9 Q16790 5/20 0.46
MMP2 P08253 4/20 0.46
CA1 P00915 4/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
F2 P00734 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
IDO1 P14902 1/20 0.42
CA14 Q9ULX7 2/20 0.41
CYP2A6 P11509 1/20 0.40
TLR9 Q9NR96 1/20 0.39
TGM2 P21980 1/20 0.38
MAPK1 P28482 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
SCHEMBL29017279 0.78 CA2 (0.50) CA2PLCG1CA12CA9MMP2
SCHEMBL758697 0.78 CA2 (0.50) CA2PLCG1CA12CA9MMP2
SCHEMBL7150046 0.78 LMNA (0.59) CA2PLCG1CA12CA9MMP2
SCHEMBL8488153 0.78 CA2 (0.56) CA2PLCG1CA12CA9MMP2
SCHEMBL6585727 0.75 TLR9 (0.70) CA2CA12CA9MMP2CA1
SCHEMBL25428935 0.75 TLR9 (0.50) CA2PLCG1CA12CA9MMP2
SCHEMBL19518780 0.75 TLR9 (0.50) CA2PLCG1CA12CA9MMP2
SCHEMBL14864828 0.74 CTSK (0.47) CA2PLCG1CA12CA9MMP2
SCHEMBL1460514 0.74 CA2 (0.56) CA2PLCG1CA12CA9MMP2
SCHEMBL7124038 0.74 TLR9 (0.61) CA2CA12CA9MMP2CA1

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
EP-2415800-B1 HYPERBRANCHED POLYOXYALKYLENE COMPOUND AND METHOD FOR PRODUCING SAME NOF CORP (JP) 2013-10-16 EP disclosed