SCHEMBL7924930

SCHEMBL7924930

O=CN(O)CCNCS(=O)(=O)c1cccc(Oc2ccncc2)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.37
F2 P00734 6/20 0.36
NFE2L2 Q16236 1/20 0.34
MMP13 P45452 3/20 0.34
MMP9 P14780 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAF1 P04049 1/20 0.33
GRK2 P25098 1/20 0.33
GRK3 P35626 1/20 0.33
FAAH O00519 1/20 0.33
AKR1C3 P42330 1/20 0.33
PGR P06401 1/20 0.33

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 0.88 MMP1 (0.48) MMP1MMP13MMP9SMN1; SMN2
SCHEMBL7360052 0.68 SMN1; SMN2 (0.47) MMP1MMP13MMP9SMN1; SMN2
SCHEMBL2565817 0.65 HDAC8 (0.57) SMN1; SMN2AKR1C3
SCHEMBL7924934 0.65 MMP1 (0.46) MMP1MMP9
SCHEMBL30622718 0.61 SMN1; SMN2 (0.50) SMN1; SMN2
SCHEMBL2533132 0.61 SMN1; SMN2 (0.50) SMN1; SMN2
SCHEMBL18184671 0.61 PSIP1 (0.59) SMN1; SMN2PGR
SCHEMBL2560113 0.60 LMNA (0.48) SMN1; SMN2
SCHEMBL7928511 0.60 MMP1 (0.51) MMP1MMP13MMP9SMN1; SMN2
SCHEMBL7557556 0.60 MMP1 (0.57) MMP1MMP13MMP9

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