SCHEMBL31055652

SCHEMBL31055652

Cn1ccc(=O)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
LMNA P02545 6/20 0.37
HTT P42858 5/20 0.37
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTR7 P34969 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CASP1 P29466 1/20 0.34
CASP3 P42574 1/20 0.34
CASP4 P49662 1/20 0.34
CASP7 P55210 1/20 0.34
CASP9 P55211 1/20 0.34
CASP6 P55212 1/20 0.34
ALDH1A1 P00352 5/20 0.33
TDP1 Q9NUW8 2/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
CCR6 P51684 1/20 0.33

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
SCHEMBL15176881 0.72
SCHEMBL31055641 0.67 MAPT (0.40) LMNAHTTMAPTKDM4ENPSR1
SCHEMBL20517132 0.66
SCHEMBL28110966 0.65 LMNA (0.35) GAALMNAHTTMAPTKDM4E
SCHEMBL28214290 0.64 GAA (0.38) GAAKDM4EHTR7CRBNBRD4
SCHEMBL27600495 0.63 ALDH1A1 (0.50) GAALMNAHTTMAPTKDM4E
SCHEMBL4467439 0.63 GAA (0.60) GAALMNAHTTMAPTKDM4E
SCHEMBL7992408 0.62 TSHR (0.41) GAALMNAHTTMAPTKDM4E
SCHEMBL31440040 0.62 GAA (0.46) GAALMNAHTTMAPTKDM4E
SCHEMBL16652388 0.62 GAA (0.46) GAALMNAHTTMAPTKDM4E

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