SCHEMBL4450084

SCHEMBL4450084

O=C(O)CNS(=O)(=O)c1ccc(N(C(=O)O)c2nc(C(Cl)(Cl)Cl)n(-c3ccccc3)n2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
MMP1 P03956 1/20 0.38
GAA P10253 1/20 0.38
MMP12 P39900 1/20 0.38
APEX1 P27695 1/20 0.36
PLAU P00749 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
KAT6A Q92794 1/20 0.34
MMP2 P08253 1/20 0.34
MMP14 P50281 1/20 0.34

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
SCHEMBL4083462 0.78 CA1 (0.43) KMT2AMMP1GAAMMP12ALDH1A1
SCHEMBL13901918 0.70 CA1 (0.42) KMT2AGAAPLAUALDH1A1KDM4E
SCHEMBL13901598 0.70 CA1 (0.41) KMT2AGAAAPEX1PLAUALDH1A1
SCHEMBL4088650 0.70 POLB (0.40) KMT2AGAAALDH1A1KDM4ETDP1
SCHEMBL15787094 0.66 APEX1 (0.62) KMT2AMMP1GAAMMP12APEX1
SCHEMBL6438335 0.62 ALDH1A1 (0.69) KMT2AMMP1GAAMMP12APEX1
SCHEMBL3905853 0.60 APEX1 (0.57) KMT2AMMP1GAAMMP12APEX1
SCHEMBL359770 0.60 MMP1 (0.79) KMT2AMMP1GAAMMP12APEX1
SCHEMBL4017916 0.60 SMN1; SMN2 (0.58) KMT2AGAAALDH1A1KDM4ETDP1
SCHEMBL6419794 0.60 GAA (0.63) KMT2AMMP1GAAMMP12LMNA

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
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 WO disclosed