SCHEMBL31070478

SCHEMBL31070478

CC(C)(C)OC(=O)N1Cc2ccccc2C1c1ccc2ccsc2c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.51
SLC6A4 P31645 5/20 0.51
SLC6A3 Q01959 5/20 0.51
CYP2D6 P10635 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NAMPT P43490 2/20 0.36
PTPN1 P18031 3/20 0.35
HDAC8 Q9BY41 2/20 0.35
MAPK1 P28482 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34

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
SCHEMBL28241356 0.80 CHRM3 (0.44) CYP2D6MEN1KMT2ANAMPTMAPK1
SCHEMBL31374623 0.79 NAMPT (0.42) MEN1KMT2ANAMPTHDAC8MAPK1
SCHEMBL29029874 0.79 NAMPT (0.42) MEN1KMT2ANAMPTHDAC8MAPK1
SCHEMBL31070631 0.78 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL28242076 0.75 TRPM8 (0.48) MEN1KMT2ANAMPTMAPK1TRPM8
SCHEMBL31070488 0.75 MEN1 (0.39) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL29029881 0.73 GPR119 (0.43) MEN1KMT2ANAMPTMAPK1TRPM8
SCHEMBL31444544 0.73 MEN1 (0.42) MEN1KMT2ANAMPTHDAC8MAPK1
SCHEMBL31444546 0.73 MEN1 (0.42) MEN1KMT2ANAMPTHDAC8MAPK1
SCHEMBL31374600 0.73 HDAC8 (0.45) MEN1KMT2ANAMPTHDAC8

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-118515600-A Isoindoline compound and medical application thereof 中国科学院上海药物研究所 2024-08-20 CN disclosed