SCHEMBL29248679

SCHEMBL29248679

CCCCCN1C=COc2ccccc21.O=CN(S)S

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALDH2 P05091 1/20 0.35
ALDH3A1 P30838 1/20 0.35
CDC25A P30304 11/20 0.34
CES1 P23141 2/20 0.34
P2RX1 P51575 1/20 0.33
P2RX4 Q99571 1/20 0.33
SCN9A Q15858 1/20 0.32

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
SCHEMBL6420871 0.88 MEN1 (0.39) MEN1MAPTTHRBMAPK1HTT
SCHEMBL29036155 0.72 PRMT6 (0.34) P2RX1P2RX4
SCHEMBL19337001 0.71 KDM4E (0.35) MAPTHTTSMN1; SMN2P2RX1P2RX4
SCHEMBL29036146 0.69 BCHE (0.34) CES1
SCHEMBL30534441 0.69 BCHE (0.34) CES1
SCHEMBL31575079 0.65 P2RX4 (0.34) P2RX1P2RX4
SCHEMBL29036163 0.65 SLC6A2 (0.31)
SCHEMBL28896942 0.65 MAPT (0.40) MEN1MAPTTHRBMAPK1KMT2A
SCHEMBL29036162 0.63 ALDH1A1 (0.39) MEN1MAPTKMT2AALDH1A1
SCHEMBL30534482 0.63 ALDH1A1 (0.39) MEN1MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118165009-A 6-Aryl-1, 4-benzoxazine-imidazoline (thio) ketone compound and preparation method and application thereof 湖南科技大学 2024-06-11 CN claimed
CN-118165009-A 6-Aryl-1, 4-benzoxazine-imidazoline (thio) ketone compound and preparation method and application thereof 湖南科技大学 2024-06-11 CN disclosed
CN-118165009-A 6-Aryl-1, 4-benzoxazine-imidazoline (thio) ketone compound and preparation method and application thereof 湖南科技大学 2024-06-11 CN disclosed