SCHEMBL2154992

SCHEMBL2154992

CCCCCC#CC(CS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1)ONC=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
TP53 P04637 1/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL2155666 0.90 KDM4E (0.39) LMNATP53MAPTSMN1; SMN2GAA
SCHEMBL2155377 0.85 LMNA (0.38) LMNAMAPTMEN1KMT2A
SCHEMBL5506445 0.85 LMNA (0.35) LMNATP53MAPT
SCHEMBL2154936 0.84 MAPT (0.33) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2156070 0.83 POLB (0.40) LMNAMAPTSMN1; SMN2TSHRMEN1
SCHEMBL2154831 0.83 MMP7 (0.36) MAPTKMT2A
SCHEMBL2156227 0.82 LMNA (0.43) LMNATP53MAPTSMN1; SMN2
SCHEMBL2156329 0.82 MMP13 (0.48) LMNATP53MAPTMEN1KMT2A
SCHEMBL2155603 0.81 HSD17B10 (0.51) LMNASMN1; SMN2TSHRMEN1KMT2A
SCHEMBL16493547 0.81 AR (0.39) LMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828160-B1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS MERCK SERONO SA (CH) 2011-12-14 EP claimed
US-7973039-B2 3-(1,3-benzodioxol-5-yl)-1-({[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl}methyl)-2-propynyl(hydroxy)formamide; analgesics, anticarcinogenic agents, antiarthritic agents; matrix metalloproteinase inhhibitors MERCK SERONO SA (CH) 2011-07-05 US claimed