SCHEMBL24813373

SCHEMBL24813373

CC(C)(C)OC(=O)CCC(C(N)=O)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.49
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
ATM Q13315 1/20 0.38
CA4 P22748 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL29144184 1.00 TNF (0.49) TNFALDH1A1MEN1KMT2AMAPK1
SCHEMBL30049141 1.00 TNF (0.49) TNFALDH1A1MEN1KMT2AMAPK1
SCHEMBL7858417 0.89 TNF (0.58) TNFALDH1A1MEN1KMT2AMAPK1
SCHEMBL29299744 0.87 TNF (0.49) TNFALDH1A1MEN1KMT2AMAPK1
SCHEMBL2280493 0.86 TNF (0.47) TNFALDH1A1MEN1KMT2AMAPK1
SCHEMBL2278593 0.86 TNF (0.47) TNFALDH1A1MEN1KMT2AMAPK1
SCHEMBL24816171 0.86 TNF (0.45) TNFALDH1A1MEN1KMT2AMAPK1
SCHEMBL24814978 0.86 TNF (0.45) TNFALDH1A1MEN1KMT2AMAPK1
SCHEMBL20294609 0.85 TNF (0.45) TNFALDH1A1MEN1KMT2AMAPK1
SCHEMBL28370724 0.85 TNF (0.45) TNFALDH1A1MEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117425642-A Preparation method of (S) -2- (2, 6-dioxopiperidine-3-yl) -4- ((2-fluoro-4- ((3-morpholinoazetidin-1-yl) methyl) benzyl) amino) isoindoline-1, 3-dione 新基公司 2024-01-19 CN disclosed
WO-2022271557-A1 PROCESSES FOR THE PREPARATION OF (S)-2-(2,6-DIOXOPIPERIDIN-3-YL)-4-((2-FLUORO-4-((3-MORPHOLINOAZETIDIN-1-YL) METHYL)BENZYL) AMINO)ISOINDOLINE-1,3-DIONE CELGENE CORPORATION (US) 2022-12-29 WO disclosed