SCHEMBL9568359

SCHEMBL9568359

O=C(CCl)Nc1ccc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ME2 P23368 2/20 0.67
ME1 P48163 2/20 0.67
ME3 Q16798 2/20 0.67
MAPT P10636 6/20 0.66
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
GFER P55789 1/20 0.65
ATM Q13315 1/20 0.65
POLB P06746 3/20 0.61
MAPK1 P28482 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
LMNA P02545 2/20 0.59
ALDH1A1 P00352 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
NAMPT P43490 1/20 0.55
CA12 O43570 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
CACNA1G O43497 1/20 0.54
HTT P42858 1/20 0.53

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
SCHEMBL9099028 0.85 MAPT (0.71) MAPTKMT2AMEN1POLBMAPK1
SCHEMBL9568418 0.84 KMT2A (0.64) ME2ME1ME3MAPTKMT2A
SCHEMBL9568295 0.83 MAPT (0.73) MAPTKMT2AMEN1POLBMAPK1
SCHEMBL2767151 0.81 ME2 (1.00) ME2ME1ME3MAPTKMT2A
SCHEMBL11076871 0.79 GFER (0.89) ME2ME1ME3MAPTKMT2A
SCHEMBL29967184 0.79 MAPT (0.70) ME2ME1ME3MAPTKMT2A
SCHEMBL10902216 0.79 GFER (0.78) ME2ME1ME3MAPTKMT2A
SCHEMBL27022350 0.78 MAPT (0.71) MAPTKMT2AMEN1GFERMAPK1
SCHEMBL2867356 0.77 AKR1C3 (0.69) ME2ME1ME3MAPTKMT2A
SCHEMBL22777865 0.75 MAPT (1.00) MAPTKMT2AMEN1GFERPOLB

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
EP-0524146-A1 Aminosubstituted Piperazinederivatives CIBA-GEIGY AG (CH) 1993-01-20 EP disclosed