SCHEMBL7576322

SCHEMBL7576322

CCOC(=O)Nc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.56
MAPT P10636 7/20 0.56
HTT P42858 4/20 0.56
LMNA P02545 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
PKM P14618 1/20 0.52
GAA P10253 3/20 0.50
THRB P10828 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 1/20 0.48
GLA P06280 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
SCHEMBL9123407 0.89 ALDH1A1 (0.64) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL2070549 0.86 MAPT (0.70) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL3004695 0.86 HTT (0.69) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL2070357 0.85 KMT2A (0.55) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL11159531 0.85 MAPT (0.62) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL2073096 0.84 ALDH1A1 (0.54) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL2069778 0.84 MAPT (0.69) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL11086324 0.83 KMT2A (0.76) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL2069878 0.83 ALDH1A1 (0.56) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL2070257 0.83 PKM (0.78) ALDH1A1MAPTHTTLMNASMN1; SMN2

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-2002056681-A2 NOVEL INTERMEDIATES AND PROCESS TO PYRIMIDINEDIONE HERBICIDES FMC CORPORATION (US) 2002-07-25 WO disclosed