SCHEMBL9720951

SCHEMBL9720951

O=S(=O)(OO)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.50
MMP2 P08253 4/20 0.50
CA1 P00915 4/20 0.50
MMP1 P03956 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
PLCG1 P19174 1/20 0.48
F2 P00734 3/20 0.45
PRSS1 P07477 3/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
CA12 O43570 4/20 0.45
CA9 Q16790 4/20 0.45
CA14 Q9ULX7 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL29393881 0.80 CA2 (0.54) CA2MMP2CA1MMP1MMP9
SCHEMBL3889326 0.80 CA2 (0.54) CA2MMP2CA1MMP1MMP9
SCHEMBL17278786 0.76 CA2 (0.50) CA2MMP2CA1MMP1MMP9
SCHEMBL22632046 0.76 CA2 (0.56) CA2MMP2CA1MMP1MMP9
SCHEMBL15015034 0.76 CA2 (0.50) CA2MMP2CA1MMP1MMP9
SCHEMBL5388525 0.76 TSHR (0.56) CA2MMP2CA1MMP1MMP9
SCHEMBL2027 0.76 GAA (0.54) CA2MMP2CA1MMP1MMP9
SCHEMBL6262857 0.76 CA2 (0.50) CA2MMP2CA1MMP1MMP9
SCHEMBL15176900 0.76 CA2 (0.50) CA2MMP2CA1MMP1MMP9
SCHEMBL28864047 0.76 ALDH1A1 (0.54) CA2MMP2CA1MMP1MMP9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5173501-A Nematocides, insecticides BASF AKTIENGESELLSCHAFT (DE) 1992-12-22 US disclosed
US-5120756-A Insecticides, nematocides; antifertility agents BASF AKTIENGESELLSCHAFT (DE) 1992-06-09 US disclosed