SCHEMBL31316818

SCHEMBL31316818

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.50
PLAU P00749 2/20 0.50
KLKB1 P03952 2/20 0.50
ELANE P08246 2/20 0.50
MAPK1 P28482 2/20 0.49
HTT P42858 1/20 0.48
KCNJ1 P48048 1/20 0.46
CYP3A4 P08684 1/20 0.42
BAZ2B Q9UIF8 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.38
PKM P14618 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL31316910 0.86 F2 (0.50) F2PLAUKLKB1ELANEHTT
SCHEMBL31710511 0.84 KMT2A (0.49) F2PLAUKLKB1ELANEHTT
SCHEMBL31316940 0.84 F2 (0.47) F2PLAUKLKB1ELANEHTT
SCHEMBL31316775 0.81 F2 (0.44) F2PLAUKLKB1ELANEHTT
SCHEMBL31316909 0.81 GSK3B (0.53) F2PLAUKLKB1ELANEHTT
SCHEMBL31316868 0.81 MAPT (0.51) F2PLAUKLKB1ELANEMAPK1
SCHEMBL31316915 0.81 F2 (0.44) F2PLAUKLKB1ELANEHTT
SCHEMBL31316695 0.81 HTT (0.49) F2PLAUKLKB1ELANEHTT
SCHEMBL9369399 0.79 HTT (0.68) F2PLAUKLKB1ELANEHTT
SCHEMBL31316812 0.78 HTT (0.47) F2PLAUKLKB1ELANEHTT

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