SCHEMBL29036153

SCHEMBL29036153

C1=CN(CCNCc2ccccc2)c2ccccc2O1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
MAOA P21397 1/20 0.41
CHRM2 P08172 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
SIGMAR1 Q99720 3/20 0.38
DRD4 P21917 1/20 0.36
ACHE P22303 4/20 0.36
MPO P05164 1/20 0.35

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
SCHEMBL30534500 1.00 MEN1 (0.44) MEN1KMT2ATDP1DPP7MAOA
SCHEMBL29036154 0.86 CHRM2 (0.48) CHRM2DRD4ACHE
SCHEMBL29036152 0.86 HTR6 (0.40) MEN1KMT2AMAPTACHE
SCHEMBL30534535 0.86 CHRM2 (0.48) CHRM2DRD4ACHE
SCHEMBL30534551 0.86 HTR6 (0.40) MEN1KMT2AMAPTACHE
SCHEMBL29036155 0.82 PRMT6 (0.34)
SCHEMBL29036162 0.79 ALDH1A1 (0.39) MEN1KMT2AMAPTDRD4
SCHEMBL30534482 0.79 ALDH1A1 (0.39) MEN1KMT2AMAPTDRD4
SCHEMBL29036163 0.79 SLC6A2 (0.31)
SCHEMBL30534525 0.77 NSD2 (0.41) SIGMAR1DRD4

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-116462686-A 4-aryl (methyl) group-1, 4-benzoxazine imidazoline compound and preparation method and application thereof 湖南科技大学 2023-07-21 CN disclosed