SCHEMBL7326111

SCHEMBL7326111

O=C(NO)C1CCCCN1S(=O)(=O)N1CCN(c2c[nH]c3c(F)c(F)c(F)c(F)c23)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.52
MMP2 P08253 5/20 0.38
MMP9 P14780 5/20 0.38
ADAM10 O14672 1/20 0.38
MMP14 P50281 1/20 0.38
ADAM17 P78536 1/20 0.38
MMP13 P45452 7/20 0.37
MMP7 P09237 4/20 0.37
MMP3 P08254 2/20 0.37
MMP8 P22894 7/20 0.34
MMP12 P39900 6/20 0.34
LMNA P02545 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4670933 0.84 MMP1 (0.45) MMP1MMP2MMP9MMP13MMP7
SCHEMBL7511113 0.84 MMP1 (0.45) MMP1MMP2MMP9MMP13MMP7
SCHEMBL4670840 0.73 MMP1 (0.60) MMP1MMP2MMP9MMP13MMP7
SCHEMBL6264715 0.73 MMP1 (0.60) MMP1MMP2MMP9MMP13MMP7
SCHEMBL6267896 0.72 MMP1 (0.58) MMP1MMP2MMP9MMP13MMP7
SCHEMBL4674797 0.71 MMP1 (0.35) MMP1MMP2MMP9ADAM17MMP13
SCHEMBL7462742 0.70 MMP1 (0.32) MMP1
SCHEMBL4674939 0.70 MMP1 (0.62) MMP1MMP2MMP9MMP14MMP13
SCHEMBL7445328 0.69 MMP13 (0.35) MMP1MMP9ADAM17MMP13MMP7
SCHEMBL4671736 0.69 MMP13 (0.35) MMP1MMP9ADAM17MMP13MMP7

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-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed