SCHEMBL7868159

SCHEMBL7868159

NC(=O)c1csc(NC(=O)[CH]C2CCCCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 2/20 0.43
TYR P14679 1/20 0.39
TRPC3 Q13507 2/20 0.38
TRPC6 Q9Y210 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.37
GRM5 P41594 2/20 0.37
ATAD2 Q6PL18 1/20 0.36
MAPK1 P28482 2/20 0.36
MAPKAPK2 P49137 1/20 0.36
MAP2K1 Q02750 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
CCNK O75909 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL19974166 0.73 L3MBTL1 (0.46) SMN1; SMN2RAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL19974165 0.73 L3MBTL1 (0.46) SMN1; SMN2RAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL21066336 0.72 L3MBTL1 (0.54) SMN1; SMN2RAB9AL3MBTL1LMNAMAPK1
SCHEMBL7136797 0.70 L3MBTL1 (0.49) SMN1; SMN2RAB9AL3MBTL1MAPK1MAPKAPK2
SCHEMBL689416 0.70 L3MBTL1 (0.72) SMN1; SMN2RAB9ATYRL3MBTL1ALDH1A1
SCHEMBL7879205 0.70 EPHX2 (0.38) SMN1; SMN2RAB9AALDH1A1
SCHEMBL417662 0.68 SMN1; SMN2 (0.44) SMN1; SMN2RAB9AALDH1A1LMNAGRM5
SCHEMBL10602555 0.68 L3MBTL1 (0.55) SMN1; SMN2RAB9ATRPC3TRPC6L3MBTL1
SCHEMBL10592749 0.68 L3MBTL1 (0.55) SMN1; SMN2RAB9ATRPC3TRPC6L3MBTL1
SCHEMBL10387744 0.68 L3MBTL1 (0.55) SMN1; SMN2RAB9ATRPC3TRPC6L3MBTL1

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-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed