SCHEMBL27490205

SCHEMBL27490205

CCOC(=O)CCC(CS(N)(=O)=O)[C@H](C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 3/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL27490556 0.85 KDM4E (0.44) KDM4ELMNAALDH1A1L3MBTL1CYP3A4
SCHEMBL9871396 0.80 MAPT (0.56) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL10347130 0.76 MAPT (0.55) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL7138665 0.73 MAPT (0.64) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL5692340 0.72 MAPT (0.66) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL5692343 0.72 MAPT (0.66) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL27915343 0.71 MAPT (0.54) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL4279296 0.71 MAPT (0.57) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL7139968 0.70 MAPT (0.67) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL11431545 0.70 MAPT (0.53) MAPTKDM4ELMNAALDH1A1GAA

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
CN-1205687-A Tyrosin-derivate as alpha-V-integrin inhibitors MERCK PATENT GES MIT BESCHR KT (DE) 1999-01-20 CN disclosed