SCHEMBL7029959

SCHEMBL7029959

O=S(=O)(CCCl)c1ccc(I)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.42
CA1 P00915 3/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MMP8 P22894 2/20 0.42
MMP13 P45452 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MMP1 P03956 1/20 0.42
F2 P00734 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
RAPGEF4 Q8WZA2 1/20 0.36
PLCG1 P19174 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
KMT2A Q03164 2/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL426162 0.80 ALDH1A1 (0.52) CA2CA1ALDH1A1CYP3A4CYP2C9
SCHEMBL2646288 0.78 ALDH1A1 (0.47) CA2CA1MMP2MMP9ALDH1A1
SCHEMBL3514586 0.78 PLCG1 (0.61) CA2CA1MMP2MMP9ALDH1A1
SCHEMBL1148799 0.78 KMT2A (0.47) CA2CA1MMP2MMP9ALDH1A1
SCHEMBL5974400 0.78 CA2 (0.53) CA2CA1MMP2MMP9ALDH1A1
SCHEMBL8775111 0.78 ALDH1A1 (0.42) CA2ALDH1A1MMP8MMP13CYP3A4
SCHEMBL1149166 0.78 ALDH1A1 (0.69) CA2CA1ALDH1A1CYP3A4CYP2C9
SCHEMBL6353755 0.78 GAA (0.57) CA2CA1MMP2MMP9ALDH1A1
SCHEMBL7033001 0.78 CA2 (0.64) CA2CA1MMP2MMP9ALDH1A1
SCHEMBL798585 0.77 PSIP1 (0.56) CA2CA1ALDH1A1KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841323-B1 Method for producing arylvinylsulfone SUMITOMO CHEMICAL CO (JP) 2003-03-05 EP disclosed
US-5902905-A Method for producing arylvinylsulfone SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-05-11 US disclosed
EP-0841323-A2 Method for producing arylvinylsulfone SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-05-13 EP disclosed