SCHEMBL31661395

SCHEMBL31661395

O=[N+]([O-])c1ccc2c(ccn2Cc2ccccn2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.51
BRD4 O60885 1/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC2A1 P11166 1/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.44
HSP90AA1 P07900 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
GLS O94925 1/20 0.41

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
SCHEMBL3509099 1.00 CFTR (0.51) CFTRBRD4PLGPLAUSLC6A2
SCHEMBL917196 0.90 BRD4 (0.51) CFTRBRD4SLC2A1POLBNPC1
Ethoxycarbonyl Group SCHEMBL27751175 0.89 CFTR (0.43) CFTRBRD4PLGPLAUSLC6A2
SCHEMBL31035977 0.84 SLC6A2 (0.47) PLGPLAUSLC6A2NPC1HSP90AA1
SCHEMBL29263648 0.84 SLC6A2 (0.47) PLGPLAUSLC6A2NPC1HSP90AA1
SCHEMBL2263749 0.80 NPC1 (0.64) PLGPLAUNPC1HSP90AA1ALDH1A1
SCHEMBL938567 0.79 GLS (0.62) CFTRPOLBNPC1L3MBTL1CYP1A2
SCHEMBL3506156 0.79 PLG (0.45) PLGPLAUSLC6A2NPC1HSP90AA1
SCHEMBL29377752 0.79 GLS (0.62) CFTRPOLBNPC1L3MBTL1CYP1A2
SCHEMBL3506073 0.79 SERPINE1 (0.45) PLGPLAUNPC1HSP90AA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025151487-A2 SMALL-MOLECULE INHIBITORS OF ADAR1 REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2025-07-17 WO disclosed