SCHEMBL29036152

SCHEMBL29036152

Cc1cccc(CNCCN2C=COc3ccccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.40
DNM1 Q05193 1/20 0.39
CXCR4 P61073 2/20 0.36
MAPT P10636 1/20 0.36
BCHE P06276 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
APP P05067 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
P2RX7 Q99572 1/20 0.33
TAAR1 Q96RJ0 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
SCHEMBL30534551 1.00 HTR6 (0.40) HTR6DNM1CXCR4MAPTBCHE
SCHEMBL30534500 0.86 MEN1 (0.44) MAPTACHEMEN1KMT2A
SCHEMBL29036153 0.86 MEN1 (0.44) MAPTACHEMEN1KMT2A
SCHEMBL29036154 0.86 CHRM2 (0.48) DNM1ACHE
SCHEMBL30534535 0.86 CHRM2 (0.48) DNM1ACHE
SCHEMBL30534557 0.81 BRD4 (0.43) MAPTKDM4EMAPK1MEN1KMT2A
SCHEMBL29036155 0.78 PRMT6 (0.34)
SCHEMBL29036158 0.74 MAPT (0.42) MAPTBCHEKDM4EKMT2A
SCHEMBL30534501 0.74 MAPT (0.42) MAPTBCHEKDM4EKMT2A
SCHEMBL29036163 0.72 SLC6A2 (0.31)

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