SCHEMBL9705093

SCHEMBL9705093

CC(=O)Oc1ccc(Nc2ccncc2[N+](=O)[O-])cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.73
HTT P42858 2/20 0.73
ALDH1A1 P00352 5/20 0.62
RAB9A P51151 1/20 0.62
MAPT P10636 7/20 0.48
HSP90AA1 P07900 1/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MCL1 Q07820 1/20 0.41
PTK2B Q14289 1/20 0.41
IDO1 P14902 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
SCHEMBL9333162 0.85 HTT (0.65) GAAHTTALDH1A1RAB9AMAPT
SCHEMBL4718392 0.84 HTT (1.00) GAAHTTALDH1A1RAB9AMAPT
SCHEMBL9539274 0.83 HTT (0.54) GAAHTTALDH1A1RAB9AMAPT
Hydrochloric Acid SCHEMBL9388338 0.82 ALDH1A1 (0.65) GAAHTTALDH1A1RAB9AMAPT
SCHEMBL27782583 0.82 HTT (0.61) GAAHTTALDH1A1RAB9AMAPT
SCHEMBL9335042 0.80 ALDH1A1 (0.74) GAAHTTALDH1A1RAB9AMAPT
SCHEMBL16657410 0.80 ALDH1A1 (0.74) GAAHTTALDH1A1RAB9AMAPT
SCHEMBL16657372 0.79 ALDH1A1 (0.82) GAAHTTALDH1A1RAB9AMAPT
SCHEMBL4721191 0.79 ALDH1A1 (0.72) GAAHTTALDH1A1RAB9AMAPT
SCHEMBL4721196 0.79 ALDH1A1 (0.72) GAAHTTALDH1A1RAB9AMAPT

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-1992014734-A1 IMIDAZOPYRIDINE PAF/H1 ANTAGONISTS PFIZER LIMITED (GB) 1992-09-03 WO disclosed