SCHEMBL30893241

SCHEMBL30893241

CN(C(=O)OC(C)(C)C)c1c([N+](=O)[O-])ccc(F)c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.33
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SSTR4 P31391 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTT P42858 2/20 0.31
KMT2A Q03164 2/20 0.31
NR1D1 P20393 1/20 0.31
HIF1A Q16665 1/20 0.31
MAPK1 P28482 1/20 0.31
GSTP1 P09211 1/20 0.31
GSTM2 P28161 1/20 0.31
PKM P14618 1/20 0.31
GAA P10253 1/20 0.31
BRD4 O60885 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA5 P08648 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL20045660 0.85 ALDH1A1 (0.34) MAPTALDH1A1LMNAATMTDP1
SCHEMBL30936632 0.82 NPSR1 (0.38) ALDH1A1LMNATDP1NPSR1HTT
SCHEMBL31220170 0.80 LMNA (0.33) MAPTALDH1A1LMNATDP1NPSR1
SCHEMBL25171636 0.80 LMNA (0.33) MAPTALDH1A1LMNATDP1NPSR1
SCHEMBL30893303 0.80 NPSR1 (0.38) MAPTALDH1A1LMNAATMTDP1
SCHEMBL23540991 0.80 NPSR1 (0.38) MAPTALDH1A1LMNAATMTDP1
SCHEMBL30893277 0.79 AAK1 (0.38) SSTR4BRD4
SCHEMBL19690540 0.78 ALDH1A1 (0.34) MAPTALDH1A1LMNAATMTDP1
SCHEMBL30038538 0.78 ALDH1A1 (0.34) MAPTALDH1A1LMNAATMTDP1
SCHEMBL18154006 0.77 ATM (0.43) MAPTALDH1A1LMNAATMTDP1

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
WO-2024097948-A1 DEGRADERS OF MDM2 AND USES THEREOF ROIVANT DISCOVERY, INC. (US) 2024-05-10 WO disclosed