SCHEMBL2155603

SCHEMBL2155603

CCCCCC#CC(CS(=O)(=O)N1CCN(c2ccccc2F)CC1)ONC=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
THRB P10828 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 3/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 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
SCHEMBL2156329 0.83 MMP13 (0.48) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL2155666 0.82 KDM4E (0.39) KDM4ESMN1; SMN2POLBMEN1KMT2A
SCHEMBL2155607 0.81 HSD17B10 (0.55) HSD17B10KDM4EGLAALDH1A1SMN1; SMN2
SCHEMBL2154992 0.81 LMNA (0.41) SMN1; SMN2TSHRMEN1KMT2ALMNA
SCHEMBL2156070 0.80 POLB (0.40) HSD17B10KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL2155606 0.80 HSD17B10 (0.51) HSD17B10KDM4EGLAALDH1A1SMN1; SMN2
SCHEMBL16493547 0.80 AR (0.39) KDM4EALDH1A1POLBLMNA
SCHEMBL2154936 0.79 MAPT (0.33) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2156542 0.79 HSD17B10 (0.52) HSD17B10KDM4EGLAALDH1A1SMN1; SMN2
SCHEMBL2155377 0.79 LMNA (0.38) KDM4EALDH1A1THRBMEN1KMT2A

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 4 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
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