SCHEMBL31316872

SCHEMBL31316872

O=C(O)c1cccc(-n2ccc([N+](=O)[O-])n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.56
F2 P00734 1/20 0.52
PLAU P00749 1/20 0.52
KLKB1 P03952 1/20 0.52
ELANE P08246 1/20 0.52
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
POLB P06746 6/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
RECQL P46063 2/20 0.50
APEX1 P27695 1/20 0.50
TP53 P04637 1/20 0.49
CASP6 P55212 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
GAA P10253 2/20 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
SCHEMBL31316911 0.84 TP53 (0.54) L3MBTL1F2PLAUKLKB1ELANE
SCHEMBL31316899 0.84 F2 (0.45) L3MBTL1F2PLAUKLKB1ELANE
SCHEMBL31316890 0.84 F2 (0.45) L3MBTL1F2PLAUKLKB1ELANE
SCHEMBL31316910 0.82 F2 (0.50) F2PLAUKLKB1ELANEMEN1
SCHEMBL31316781 0.81 ALDH1A1 (0.45) L3MBTL1F2PLAUKLKB1ELANE
SCHEMBL7114840 0.80 F2 (0.53) L3MBTL1F2PLAUKLKB1ELANE
SCHEMBL4134448 0.77 L3MBTL1 (0.55) L3MBTL1MEN1KMT2APOLBKDM4E
SCHEMBL31316906 0.76 LMNA (0.56) L3MBTL1KEAP1NFE2L2MEN1KMT2A
SCHEMBL182136 0.75 KEAP1 (0.51) L3MBTL1KEAP1NFE2L2MEN1KMT2A
SCHEMBL16062208 0.75 TP53 (0.49) KEAP1NFE2L2MEN1KMT2APOLB

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-4743453-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION Pretzel Therapeutics, Inc. (US) 2026-05-20 EP disclosed
WO-2025015178-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION PRETZEL THERAPEUTICS, INC. (US) 2025-01-16 WO disclosed