SCHEMBL7924934

SCHEMBL7924934

CC(NCS(=O)(=O)c1ccc(Oc2ccncc2)cc1)N(O)C=O

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 9/20 0.46
MMP9 P14780 18/20 0.44
MMP2 P08253 17/20 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
SCHEMBL7924925 0.76 MMP1 (0.48) MMP1MMP9MMP2
SCHEMBL7928511 0.69 MMP1 (0.51) MMP1MMP9MMP2
SCHEMBL7447089 0.68 MMP9 (0.58) MMP1MMP9MMP2
SCHEMBL7360052 0.68 SMN1; SMN2 (0.47) MMP1MMP9MMP2
SCHEMBL7360556 0.68 MMP2 (0.54) MMP1MMP9MMP2
SCHEMBL7360562 0.68 MMP2 (0.54) MMP1MMP9MMP2
SCHEMBL7363727 0.67 MMP2 (0.48) MMP1MMP9MMP2
SCHEMBL7998903 0.66 MMP2 (0.67) MMP1MMP9MMP2
SCHEMBL10021363 0.66 MMP9 (0.74) MMP1MMP9MMP2
SCHEMBL7924930 0.65 MMP1 (0.37) MMP1MMP9

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