SCHEMBL31316699

SCHEMBL31316699

COc1ccc(-n2ccc([N+](=O)[O-])n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 4/20 0.49
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
ABCB11 O95342 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HTR7 P34969 1/20 0.42
APP P05067 1/20 0.41
KAT2B Q92831 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
MAPKAPK2 P49137 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL31316906 0.84 LMNA (0.56) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL9369399 0.80 HTT (0.68) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL31710511 0.80 KMT2A (0.49) MAPTNPC1MEN1KMT2AHTT
SCHEMBL31316883 0.79 CYP1A2 (0.49) HTTCYP1A2CYP2C9
SCHEMBL31316695 0.79 HTT (0.49) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL7114840 0.78 F2 (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL31316773 0.78 HTT (0.49) HTTSMN1; SMN2ALDH1A1
SCHEMBL15476330 0.77 HTT (0.40) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL31316818 0.77 F2 (0.50) MAPTNPC1MEN1KMT2AHTT
SCHEMBL31316812 0.76 HTT (0.47) MEN1KMT2AHTTLMNASMN1; SMN2

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