SCHEMBL7967955

SCHEMBL7967955

CCOC(=O)CC(c1ccc([N+](=O)[O-])cc1)C(C#N)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
KDM4E B2RXH2 4/20 0.56
LMNA P02545 4/20 0.56
ALDH1A1 P00352 5/20 0.44
GAA P10253 2/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 2/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6576846 0.83 SMN1; SMN2 (0.44) MAPTKDM4ELMNAALDH1A1L3MBTL1
SCHEMBL7247968 0.82 SMN1; SMN2 (0.54) ALDH1A1GAAL3MBTL1SMN1; SMN2KMT2A
SCHEMBL19972267 0.81 ALOX15 (0.45) MAPTALDH1A1GAAL3MBTL1SMN1; SMN2
SCHEMBL7720668 0.78 MAPT (0.64) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL2815023 0.78 MAPT (0.51) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL7139968 0.78 MAPT (0.67) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL1508442 0.77 MAPT (0.66) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL5692340 0.77 MAPT (0.66) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL5692343 0.77 MAPT (0.66) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL7138665 0.76 MAPT (0.64) 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
WO-2001002357-A2 PROCESS FOR THE SYNTHESIS OF 4-(4'-FLUOROPHENYL)-PIPERIDINES SMITHKLINE BEECHAM P.L.C. (GB) 2001-01-11 WO disclosed