SCHEMBL7827682

SCHEMBL7827682

C[CH]C(=O)NS(=O)(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.55
CA1 P00915 1/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55
PTGS2 P35354 4/20 0.51
PTGS1 P23219 2/20 0.51
KDM4E B2RXH2 2/20 0.50
BCAT1 P54687 1/20 0.50
P4HTM Q9NXG6 2/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
FLT1 P17948 1/20 0.49
FLT4 P35916 1/20 0.49
KDR P35968 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL5176809 0.85 CA2 (0.52) CA2CA1MMP1MMP2MMP9
SCHEMBL265749 0.85 CA2 (0.52) CA2CA1MMP1MMP2MMP9
SCHEMBL1379772 0.81 CA1 (0.58) CA2CA1MMP1MMP2MMP9
SCHEMBL962549 0.81 CA2 (0.55) CA2CA1MMP1MMP2MMP9
SCHEMBL7825037 0.80 KDM4E (0.53) CA2CA1MMP1MMP2MMP9
SCHEMBL5175625 0.79 CA1 (0.53) CA2CA1MMP1MMP2MMP9
SCHEMBL5175601 0.79 CA1 (0.53) CA2CA1MMP1MMP2MMP9
SCHEMBL5175596 0.79 CA1 (0.53) CA2CA1MMP1MMP2MMP9
SCHEMBL6277999 0.78 HDAC3 (0.63) MMP1MMP2MMP9PTGS1KMT2A
SCHEMBL209632 0.78 DHFR (0.66) CA2CA1MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757682-B1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO (JP) 2001-06-20 EP disclosed
US-5858995-A ADMINISTERING TO HUMANS AND ANIMALS IN THE TREATMENT OF DISEASES CAUSED BY ABNORMAL BONE METABOLISM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0757682-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1996034866-A1 IMIDAZO 1,2-A PYRIDINE AND IMIDAZO 1,2-A PYRIDEZINE DERIVATIVES AND THEIR USE AS BONE RESORPTION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-07 WO disclosed
WO-1995029907-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-09 WO disclosed
US-4954513-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-09-04 US disclosed