SCHEMBL29065263

SCHEMBL29065263

Nc1cccc(Nn2c3ccccc3c3ccccc32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.51
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
GFER P55789 1/20 0.48
AHR P35869 1/20 0.42
DDX3X O00571 2/20 0.42
ALDH1A1 P00352 3/20 0.40
HTR6 P50406 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HBB P68871 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ELANE P08246 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL274839 0.78 SLC6A2 (0.70) SLC6A2KDM4EMEN1MAPTKMT2A
SCHEMBL21376874 0.75 SLC6A2 (0.47) SLC6A2LMNAALDH1A1HTR6HTT
SCHEMBL22433831 0.71 KDM4E (0.53) KDM4EMEN1MAPTKMT2ATDP1
SCHEMBL28143969 0.69 MAPT (0.50) KDM4EMEN1MAPTKMT2ATDP1
SCHEMBL7521911 0.69 MEN1 (0.67) KDM4EMEN1MAPTKMT2ATDP1
SCHEMBL30258185 0.68 SLC6A2 (0.61) SLC6A2KDM4EALDH1A1MAPK1HTT
SCHEMBL9663500 0.68 SLC6A2 (1.00) SLC6A2MAOA
SCHEMBL29789020 0.68 KDM4E (0.59) KDM4EMEN1MAPTKMT2ATDP1
SCHEMBL29829630 0.68 KDM4E (0.59) KDM4EMEN1MAPTKMT2ATDP1
SCHEMBL1005894 0.68 KDM4E (0.59) KDM4EMEN1MAPTKMT2ATDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115583919-B Preparation method of 6-oxyalkyl 1,2, 4-triazine-3, 5 (2H, 4H) -diketone derivative 河北工业大学 2024-04-19 CN disclosed
CN-112979687-B Thermal activation delay fluorescent material and preparation method and application thereof 深圳大学 2023-07-18 CN disclosed