SCHEMBL31316868

SCHEMBL31316868

CCOC(=O)c1ccc(-n2ccc([N+](=O)[O-])n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
HTT P42858 4/20 0.49
HPGD P15428 2/20 0.49
F2 P00734 1/20 0.47
PLAU P00749 1/20 0.47
KLKB1 P03952 1/20 0.47
ELANE P08246 1/20 0.47
ALDH1A1 P00352 5/20 0.47
HSP90AA1 P07900 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 3/20 0.44

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
SCHEMBL31710511 0.85 KMT2A (0.49) MAPTHTTF2PLAUKLKB1
SCHEMBL31316805 0.82 LMNA (0.46) MAPTHTTF2PLAUKLKB1
SCHEMBL31316818 0.81 F2 (0.50) MAPTHTTF2PLAUKLKB1
SCHEMBL29665356 0.80 LMNA (0.54) MAPTF2PLAUKLKB1ELANE
SCHEMBL31273283 0.80 MAPT (0.63) MAPTHTTALDH1A1L3MBTL1KCNJ1
SCHEMBL31316910 0.79 F2 (0.50) MAPTHTTHPGDF2PLAU
SCHEMBL31316909 0.77 GSK3B (0.53) HTTF2PLAUKLKB1ELANE
SCHEMBL31316940 0.77 F2 (0.47) MAPTHTTHPGDF2PLAU
SCHEMBL31277218 0.77 ALDH1A1 (0.63) MAPTHTTHPGDALDH1A1HSP90AA1
SCHEMBL31316915 0.77 F2 (0.44) HTTF2PLAUKLKB1ELANE

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