SCHEMBL31055641

SCHEMBL31055641

Cn1c(F)cc(=O)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.31
ESPL1 Q14674 1/20 0.31
ALDH1A1 P00352 1/20 0.30
THRB P10828 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
CASP3 P42574 1/20 0.30
CASP4 P49662 1/20 0.30
CASP7 P55210 1/20 0.30
CASP9 P55211 1/20 0.30
CASP6 P55212 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
SCHEMBL31055652 0.67 GAA (0.41) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL14596454 0.63 CYP1A2 (0.41) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL2042900 0.60
SCHEMBL15324212 0.59 MAPT (0.59) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL15323840 0.59 MAPT (0.76) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL29042327 0.59 MAPT (0.55) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL14364106 0.58 ALDH1A1 (0.39) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL7049450 0.58 CYP1A2 (0.37) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL9379101 0.57 MAPT (1.00) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL14364101 0.57 PKM (0.37) MAPTLMNAKDM4EHTTNPSR1

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-118472387-A Electrolyte, battery, energy storage device and power utilization system 厦门海辰储能科技股份有限公司 2024-08-09 CN disclosed