SCHEMBL31196294

SCHEMBL31196294

COC(=O)[C@H]1CC[C@H](CNc2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
KAT2B Q92831 2/20 0.42
VCP P55072 2/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL2309319 1.00 MAPT (0.46) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8114008 0.90 PTGER4 (0.41) MAPTKMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL31196487 0.86 VCP (0.55) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL15099939 0.85 KAT2B (0.46) MAPTMAPK1L3MBTL1KAT2BALDH1A1
SCHEMBL31200365 0.84 L3MBTL1 (0.45) MAPTKMT2AGAAMEN1MAPK1
SCHEMBL11893762 0.84 MAPT (0.51) MAPTKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL11893761 0.84 MAPT (0.51) MAPTKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL25232312 0.81 ALDH1A1 (0.52) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL25280918 0.81 ALDH1A1 (0.52) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL11893596 0.81 MAPT (0.53) MAPTKMT2AMEN1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709716-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2026-03-18 EP disclosed
EP-4709722-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2026-03-18 EP disclosed
WO-2024233547-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2024-11-14 WO disclosed
WO-2024233554-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2024-11-14 WO disclosed