SCHEMBL27887553

SCHEMBL27887553

Cc1cc(Oc2ccc([N+](=O)[O-])cc2Cl)cc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
GAA P10253 2/20 0.56
PKM P14618 1/20 0.56
ALDH1A1 P00352 8/20 0.56
MAPT P10636 4/20 0.55
PDE7A Q13946 1/20 0.54
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
GPR55 Q9Y2T6 1/20 0.52
NPSR1 Q6W5P4 2/20 0.50
HSP90AA1 P07900 1/20 0.50
KDM4E B2RXH2 2/20 0.46
TTR P02766 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
RAB9A P51151 1/20 0.45
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL3509441 0.83 PDE7A (0.68) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL3505195 0.82 ALDH1A1 (0.69) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL3485184 0.81 PDE7A (0.54) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL27768781 0.80 MEN1 (0.55) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL27708934 0.77 MEN1 (0.67) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL3509055 0.77 MEN1 (0.73) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL12579365 0.76 MEN1 (0.57) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL12929385 0.76 PDE7A (0.57) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL4029870 0.76 PDE7A (0.73) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL2820914 0.76 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTHTT

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-102656149-A Benzamide compounds ASTELLAS PHARMA INC 2012-09-05 CN disclosed