SCHEMBL8038657

SCHEMBL8038657

COc1cc(Cl)c(C(=O)N(C)C(=O)N2CCOCC2)c([N+](=O)[O-])c1O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
KMT2A Q03164 8/20 0.39
MEN1 O00255 4/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL8041621 0.90 MEN1 (0.40) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL8041264 0.88 SMN1; SMN2 (0.41) KMT2AMAPTALDH1A1
SCHEMBL8039106 0.82 POLB (0.45) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL8028096 0.78 TDP1 (0.35) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL8040095 0.78 ERN1 (0.37) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL8035095 0.77 SPR (0.38) KMT2AMEN1MAPTALDH1A1
SCHEMBL8041629 0.76 TDP1 (0.34) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL8041234 0.76 POLB (0.47) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL8038161 0.75 ERN1 (0.38) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL8028100 0.75 L3MBTL1 (0.35) POLBKMT2AMEN1MAPTALDH1A1

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-2009081892-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 WO disclosed