SCHEMBL5506448

SCHEMBL5506448

CCCCCC#CC(CS(=O)(=O)N1CCN(c2ccc3c(c2)OCO3)CC1)N(O)C=O.CCCCCC#CC(CS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1)N(O)C=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 2/20 0.39
MMP13 P45452 2/20 0.39
MMP14 P50281 2/20 0.39
ADAMTS4 O75173 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL2154937 0.94 MMP13 (0.44) ALDH1A1PKMCYP3A4MMP13MMP14
SCHEMBL5506445 0.93 LMNA (0.35) LMNAALDH1A1PKMHTTCYP3A4
SCHEMBL2154754 0.92 CYP3A4 (0.43) LMNACYP3A4MMP13MMP14ADAMTS4
SCHEMBL2155138 0.84 MMP13 (0.50) CYP3A4MMP13MMP14ADAMTS4KCNH2
SCHEMBL2154919 0.82 MMP13 (0.49) LMNACYP3A4MMP13MMP14ADAMTS4
SCHEMBL2155266 0.82 CYP3A4 (0.42) LMNAALDH1A1CYP3A4MMP13MMP14
SCHEMBL2155110 0.79 MMP13 (0.63) ALDH1A1CYP3A4MMP13MMP14ADAMTS4
SCHEMBL27693742 0.79 MMP13 (0.50) ALDH1A1CYP3A4MMP13MMP14ADAMTS4
SCHEMBL2155381 0.79 MMP13 (0.44) LMNAALDH1A1PKMHTTCYP3A4
SCHEMBL2155625 0.78 MAPT (0.37) ALDH1A1PKMMAPTTHRBTP53

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-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