SCHEMBL31664166

SCHEMBL31664166

COc1cc([N+](=O)[O-])cc(OS(=O)(=O)c2ccccc2)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PTGS2 P35354 1/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 3/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
EGFR P00533 1/20 0.47
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
HTT P42858 3/20 0.44
KRAS P01116 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL190507 1.00 HPGD (0.50) HPGDL3MBTL1PTGS2KMT2AMEN1
SCHEMBL2236467 0.81 PTGS2 (0.59) PTGS2KMT2AMEN1MAPTALDH1A1
SCHEMBL2236729 0.79 KMT2A (0.50) HPGDL3MBTL1PTGS2KMT2AMEN1
SCHEMBL6313062 0.79 PTGS2 (0.62) PTGS2MAPTALDH1A1LMNAHTT
SCHEMBL6346700 0.77 PTGS2 (0.58) PTGS2KMT2AMEN1MAPTALDH1A1
SCHEMBL31664216 0.76 ALDH1A1 (0.51) L3MBTL1KMT2AMEN1MAPTGAA
SCHEMBL190382 0.76 ALDH1A1 (0.51) L3MBTL1KMT2AMEN1MAPTGAA
SCHEMBL8820307 0.74 KMT2A (0.56) HPGDL3MBTL1KMT2AMEN1MAPT
SCHEMBL2858537 0.74 MEN1 (0.55) L3MBTL1PTGS2KMT2AMEN1MAPT
SCHEMBL8866433 0.73 HPGD (0.60) HPGDL3MBTL1KMT2AMEN1GAA

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
EP-4613773-A2 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2025-09-10 EP disclosed
EP-3731869-B1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2025-07-23 EP disclosed