SCHEMBL30893303

SCHEMBL30893303

CN(C(=O)OC(C)(C)C)c1c(Br)cccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 6/20 0.37
HTT P42858 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
GPR35 Q9HC97 1/20 0.36
PAX8 Q06710 1/20 0.36
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
HSP90AA1 P07900 1/20 0.35
ATM Q13315 1/20 0.35
STAT3 P40763 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NR1D1 P20393 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
SCHEMBL23540991 1.00 NPSR1 (0.38) NPSR1ALDH1A1HTTTDP1GPR35
SCHEMBL31720604 0.85 TDP1 (0.46) NPSR1ALDH1A1HTTTDP1GPR35
SCHEMBL30936620 0.84 ALDH1A1 (0.44) NPSR1ALDH1A1HTTTDP1L3MBTL1
SCHEMBL30936632 0.84 NPSR1 (0.38) NPSR1ALDH1A1HTTTDP1GPR35
SCHEMBL7476967 0.83 TSHR (0.50) NPSR1ALDH1A1HTTTDP1TSHR
SCHEMBL25171636 0.82 LMNA (0.33) NPSR1ALDH1A1HTTTDP1LMNA
SCHEMBL31220170 0.82 LMNA (0.33) NPSR1ALDH1A1HTTTDP1LMNA
SCHEMBL7480695 0.81 ALDH1A1 (0.45) NPSR1ALDH1A1TSHRL3MBTL1LMNA
SCHEMBL30893241 0.80 MAPT (0.36) NPSR1ALDH1A1HTTTDP1LMNA
SCHEMBL4613668 0.79 ALDH1A1 (0.38) NPSR1ALDH1A1HTTMAPTNR1D1

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