SCHEMBL31070488

SCHEMBL31070488

CC(C)(C)OC(=O)N1Cc2ccccc2C1c1csc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DTYMK P23919 1/20 0.38
SLC6A4 P31645 3/20 0.37
MAPK1 P28482 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
NAMPT P43490 2/20 0.37
BCHE P06276 1/20 0.37
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
DRD2 P14416 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
PRKCA P17252 2/20 0.35
PRKCE Q02156 2/20 0.35
RASGRP3 Q8IV61 2/20 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
SCHEMBL31070553 0.82 MAPT (0.39) KMT2ASLC6A4SLC6A2SLC6A3DRD2
SCHEMBL31444544 0.80 MEN1 (0.42) MEN1KMT2AMAPK1NAMPTDDB1
SCHEMBL31444546 0.80 MEN1 (0.42) MEN1KMT2AMAPK1NAMPTDDB1
SCHEMBL28241356 0.79 CHRM3 (0.44) MEN1KMT2AMAPK1NAMPT
SCHEMBL31070552 0.79 SLC6A4 (0.47) MEN1KMT2ASLC6A4MAPK1SLC6A2
SCHEMBL5184687 0.76 NAMPT (0.46) MEN1KMT2AMAPK1NAMPTBCHE
SCHEMBL31374623 0.76 NAMPT (0.42) MEN1KMT2AMAPK1NAMPTDDB1
SCHEMBL29029874 0.76 NAMPT (0.42) MEN1KMT2AMAPK1NAMPTDDB1
SCHEMBL8222142 0.75 ADAM17 (0.50) MEN1KMT2AMAPK1NAMPTMAPT
SCHEMBL31070478 0.75 SLC6A2 (0.51) MEN1KMT2ASLC6A4MAPK1SLC6A2

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