SCHEMBL28285019

SCHEMBL28285019

CC(C1CNCCO1)N1C(=O)c2cccc3cccc(c23)C1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 7/20 0.46
KMT2A Q03164 4/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 2/20 0.38
CYP1B1 Q16678 1/20 0.38
SSTR4 P31391 1/20 0.37
ERCC1 P07992 1/20 0.37
FEN1 P39748 1/20 0.37
ERCC4 Q92889 1/20 0.37
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 3/20 0.36

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
SCHEMBL28107782 0.88 CYP1B1 (0.45) KDM4EALDH1A1KMT2AGAACASP1
Hydrochloric Acid SCHEMBL27657034 0.87 SLC6A2 (0.41) KDM4EALDH1A1KMT2AGAAMEN1
SCHEMBL28232961 0.84 CYP1B1 (0.44) KDM4EALDH1A1KMT2ALMNAMEN1
SCHEMBL28107784 0.82 MEN1 (0.40) KDM4EALDH1A1KMT2AGAAHTT
SCHEMBL28599165 0.71 KDM4E (0.54) KDM4EALDH1A1KMT2AGAAHPGD
SCHEMBL28107993 0.71 PARP1 (0.40) KDM4EALDH1A1KMT2AHPGDHSD17B10
SCHEMBL10299247 0.69 KDM4E (0.57) KDM4EALDH1A1KMT2AGAACASP1
SCHEMBL17983185 0.68 ALDH1A1 (0.46) ALDH1A1KMT2AGAALMNAHTT
SCHEMBL27538862 0.67 ALDH1A1 (0.46) KDM4EALDH1A1KMT2AGAAHPGD
SCHEMBL4438479 0.66 ALDH1A1 (0.61) KDM4EALDH1A1KMT2AGAACASP1

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-107325095-B A kind of lysosome hypochlorous acid fluorescence probe and its preparation method and application 济南大学 2019-03-15 CN claimed