SCHEMBL8773897

SCHEMBL8773897

CNS(=O)(=O)c1ccc(C([NH])=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
GAA P10253 2/20 0.55
ALDH1A1 P00352 2/20 0.55
CA2 P00918 3/20 0.53
CA12 O43570 3/20 0.53
CA9 Q16790 3/20 0.53
CA1 P00915 2/20 0.53
CA3 P07451 2/20 0.53
CA4 P22748 2/20 0.53
CA6 P23280 2/20 0.53
CA5A P35218 2/20 0.53
CA7 P43166 2/20 0.53
CA13 Q8N1Q1 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CA5B Q9Y2D0 2/20 0.53
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
NR3C2 P08235 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL1764031 0.82 SMN1; SMN2 (0.57) SMN1; SMN2GAAALDH1A1CA2CA12
SCHEMBL5565789 0.82 CA12 (0.61) SMN1; SMN2GAAALDH1A1CA2CA12
Lithium Ion SCHEMBL22638711 0.80 SMN1; SMN2 (0.55) SMN1; SMN2GAAALDH1A1CA2CA12
SCHEMBL1870821 0.80 CA2 (0.59) SMN1; SMN2GAAALDH1A1CA2CA12
SCHEMBL7629070 0.80 SMN1; SMN2 (0.80) SMN1; SMN2GAAALDH1A1CA2CA12
SCHEMBL6852673 0.79 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1CA2CA1LMNA
SCHEMBL14448891 0.78 TMPRSS6 (0.60) SMN1; SMN2GAAALDH1A1CA2CA12
SCHEMBL10153945 0.78 CA1 (0.59) SMN1; SMN2GAAALDH1A1CA2CA12
Hydrochloric Acid SCHEMBL5344895 0.78 CA2 (0.57) SMN1; SMN2GAAALDH1A1CA2CA12
SCHEMBL15045392 0.77 SMN1; SMN2 (0.52) SMN1; SMN2GAAALDH1A1CA2CA12

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
EP-0793643-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-09-10 EP disclosed
WO-1996016027-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-05-30 WO disclosed