SCHEMBL29644658

SCHEMBL29644658

CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1N2C(=O)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 4/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
BCHE P06276 1/20 0.35
HTR2A P28223 1/20 0.35
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
ABL1 P00519 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTR2C P28335 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
NPC1 O15118 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
SCHEMBL29644639 0.94 BCHE (0.42) P2RX4MEN1KMT2ATDP1L3MBTL1
SCHEMBL11595889 0.80 MAPT (0.51) P2RX4MEN1KMT2ATDP1L3MBTL1
SCHEMBL10083547 0.77 P2RX4 (0.58) P2RX4MEN1KMT2ATDP1L3MBTL1
SCHEMBL389568 0.74 MEN1 (0.67) P2RX4MEN1KMT2ATDP1L3MBTL1
SCHEMBL9812584 0.71 P2RX4 (0.41) P2RX4MEN1KMT2ATDP1L3MBTL1
SCHEMBL29644646 0.71 AVPR2 (0.39) P2RX4MEN1KMT2ATDP1L3MBTL1
SCHEMBL12955610 0.68 MAPT (0.40) P2RX4MEN1KMT2ATDP1L3MBTL1
SCHEMBL9009797 0.65 MAPT (0.48) P2RX4MEN1KMT2AL3MBTL1MAPK1
SCHEMBL29625793 0.64 P2RX4 (0.49) P2RX4MEN1KMT2ATDP1L3MBTL1
SCHEMBL9794866 0.64 P2RX4 (0.49) P2RX4MEN1KMT2ATDP1L3MBTL1

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-114685394-A Phenoxazine derivative based on amido bond, and preparation method and application thereof 山西大学 2022-07-01 CN disclosed