SCHEMBL7924925

SCHEMBL7924925

O=CN(O)CCNCS(=O)(=O)c1ccc(Oc2ccncc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.48
MMP9 P14780 13/20 0.38
MMP2 P08253 12/20 0.38
MMP13 P45452 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 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
SCHEMBL7924930 0.88 MMP1 (0.37) MMP1MMP9MMP13SMN1; SMN2
SCHEMBL7360052 0.77 SMN1; SMN2 (0.47) MMP1MMP9MMP2MMP13SMN1; SMN2
SCHEMBL7924934 0.76 MMP1 (0.46) MMP1MMP9MMP2
SCHEMBL7928511 0.71 MMP1 (0.51) MMP1MMP9MMP2MMP13SMN1; SMN2
SCHEMBL7447099 0.68 MMP1 (0.52) MMP1MMP9MMP2MMP13SMN1; SMN2
SCHEMBL6338957 0.66 MMP1 (0.53) MMP1MMP9MMP2MMP13SMN1; SMN2
SCHEMBL1656016 0.64 MMP1 (0.50) MMP1MMP9MMP2MMP13SMN1; SMN2
SCHEMBL7924869 0.63 SMN1; SMN2 (0.60) MMP1MMP9MMP13SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL4027206 0.62 MMP1 (0.49) MMP1MMP9MMP2MMP13SMN1; SMN2
SCHEMBL7512941 0.62 PTGS2 (0.55) MMP1MMP9MMP2MMP13SMN1; SMN2

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
US-6235786-B1 RHEUMATIC DISORDERS; BONE DISORDERS; ORAL DISEASES; ANTIULCER AGENTS; ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-22 US disclosed