SCHEMBL31070552

SCHEMBL31070552

CC(C)(C)OC(=O)N1Cc2ccccc2C1c1coc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A3 Q01959 2/20 0.47
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.37
DRD2 P14416 11/20 0.37
HTR2A P28223 10/20 0.37
DRD3 P35462 10/20 0.37
NAMPT P43490 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
EPHX2 P34913 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
SCHEMBL31070630 0.81 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3CHRNB2CHRNA4
SCHEMBL31444546 0.79 MEN1 (0.42) MEN1KMT2AMAPK1NAMPTDDB1
SCHEMBL31444544 0.79 MEN1 (0.42) MEN1KMT2AMAPK1NAMPTDDB1
SCHEMBL31070488 0.79 MEN1 (0.39) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL28241356 0.78 CHRM3 (0.44) MEN1KMT2AMAPK1NAMPT
SCHEMBL31070669 0.77 SLC6A2 (0.48) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL5184687 0.76 NAMPT (0.46) MEN1KMT2AMAPK1NAMPTDDB1
SCHEMBL29029874 0.75 NAMPT (0.42) MEN1KMT2AMAPK1NAMPTDDB1
SCHEMBL31374623 0.75 NAMPT (0.42) MEN1KMT2AMAPK1NAMPTDDB1
SCHEMBL30944609 0.74 MEN1 (0.45) MEN1KMT2AMAPK1DRD2NAMPT

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