SCHEMBL14775713

SCHEMBL14775713

CCc1c(O)c(O)c([N+](=O)[O-])c(C(=O)c2ccno2)c1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
FBP1 P09467 2/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL14775858 0.83 HPGD (0.34) ALDH1A1MEN1LMNAGAAKMT2A
SCHEMBL14775936 0.79 FBP1 (0.37) ALDH1A1GAAFBP1
SCHEMBL14775733 0.75 CDK2 (0.40) ALDH1A1MEN1LMNAKMT2APTGDR2
SCHEMBL14775910 0.75 FTO (0.35) ALDH1A1
SCHEMBL14775871 0.74 LMNA (0.41) ALDH1A1MEN1LMNAGAAKMT2A
SCHEMBL1655889 0.72 PKM (0.42) PKMALDH1A1MEN1LMNAKMT2A
SCHEMBL9489749 0.71 IMPDH2 (0.38) PKMFBP1
SCHEMBL12082570 0.69 PKM (0.40) PKMALDH1A1MEN1LMNAGAA
SCHEMBL12082517 0.69 MEN1 (0.32) ALDH1A1MEN1LMNAGAAKMT2A
SCHEMBL1658622 0.68 COMT (0.42) PKMALDH1A1MEN1LMNAGAA

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-2305633-B1 Catechol derivative and its use KISSEI PHARMACEUTICAL (JP) 2013-03-20 EP claimed