SCHEMBL27395756

SCHEMBL27395756

COC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
GAA P10253 2/20 0.61
PKM P14618 1/20 0.61
ALDH1A1 P00352 6/20 0.61
MAPT P10636 5/20 0.58
NPSR1 Q6W5P4 2/20 0.57
HPGD P15428 1/20 0.57
PDE7A Q13946 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 3/20 0.53
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PYGL P06737 1/20 0.48

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
SCHEMBL3509871 0.92 MEN1 (0.68) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL3505843 0.84 ALDH1A1 (0.70) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL17185227 0.83 ALDH1A1 (0.55) MEN1KMT2APKMALDH1A1MAPT
SCHEMBL31504041 0.82 POLB (0.69) MEN1KMT2APKMALDH1A1MAPT
SCHEMBL370483 0.81 USP2 (0.49) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL11278447 0.81 ALDH1A1 (0.57) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL27534851 0.81 TTR (0.54) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL12579365 0.81 MEN1 (0.57) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL6757032 0.81 ALDH1A1 (0.55) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL3509441 0.80 PDE7A (0.68) MEN1KMT2AGAAPKMALDH1A1

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-1082023-A The medicine and the novel benzoic acid derivative that contain benzoic acid derivative YAMANOUCHI PHARMA CO LTD (JP) 1994-02-16 CN disclosed