SCHEMBL5519230

SCHEMBL5519230

CCCCCC#CC(CS(=O)(=O)N1CCC(c2ccc(Cl)cc2)CC1)ONC=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
MCHR1 Q99705 1/20 0.36
CCR1 P32246 7/20 0.35
TP53 P04637 3/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP5 P45974 3/20 0.34
TSHR P16473 1/20 0.33
CYP11B2 P19099 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
USP3 Q9Y6I4 1/20 0.32
MMP3 P08254 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL5508768 0.91 USP5 (0.34) LMNAL3MBTL1USP5MMP3
SCHEMBL2155666 0.85 KDM4E (0.39) TP53MAPTLMNACNR1
SCHEMBL2157126 0.81 DRD2 (0.40) DRD2MCHR1CCR1TP53MAPT
SCHEMBL2155367 0.80 DRD2 (0.38) DRD2MCHR1CCR1TP53MAPT
SCHEMBL2154831 0.80 MMP7 (0.36) DRD2MAPT
SCHEMBL2154992 0.80 LMNA (0.41) TP53MAPTLMNATSHR
SCHEMBL2155370 0.79 CCR1 (0.44) MCHR1CCR1USP5
SCHEMBL16501802 0.79 DRD2 (0.40) DRD2MCHR1CCR1TP53MAPT
SCHEMBL2156070 0.75 POLB (0.40) MAPTLMNATSHR
SCHEMBL2155603 0.75 HSD17B10 (0.51) LMNATSHR

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 3 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
EP-1828160-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-09-05 EP claimed
WO-2006067114-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-06-29 WO claimed