SCHEMBL7307619

SCHEMBL7307619

O=[N+]([O-])c1cc2c([n+]([O-])c1)CCOC2

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ADRB2 P07550 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ADRA2A P08913 1/20 0.32
PNMT P11086 1/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CTSB P07858 1/20 0.30

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
SCHEMBL5131485 0.71 PNMT (0.49) RAB9AALDH1A1MAPTTDP1ADRA2A
SCHEMBL6291697 0.71 PNMT (0.53) RAB9AALDH1A1MAPTTDP1ADRA2A
SCHEMBL6776635 0.68 RXFP1 (0.40) RAB9ASMN1; SMN2HTTRXFP1ALDH1A1
SCHEMBL7303101 0.68 MAPT (0.31) MAPT
SCHEMBL7304944 0.66 ANO1 (0.38) SMN1; SMN2KDM4EPOLBCA12CA1
SCHEMBL31378902 0.65 ALDH1A1 (0.39) RAB9ASMN1; SMN2HTTRXFP1ALDH1A1
SCHEMBL2061267 0.64 PNMT (0.56) RAB9AALDH1A1MAPTADRA2APNMT
SCHEMBL3213966 0.63 CA12 (0.51) RAB9AALDH1A1MAPTTDP1ADRA2A
SCHEMBL7300020 0.62 BACE1 (0.34)
SCHEMBL9262238 0.60 CYP19A1 (0.52) SMN1; SMN2HTTALDH1A1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0556008-B1 Condensed imidazopyridine derivatives with psychotropic activity SHIONOGI & CO (JP) 1997-05-14 EP disclosed
US-5461062-A Psychotropic agent as antianxiety agent, anesthesia antagonistic agent SHIONOGI & CO., LTD. (JP) 1995-10-24 US disclosed
US-5378848-A Benzodiazepine agonist, psychotropic, antianxiety, cerebral function activator, anesthesia atagonist SHIONOGI & CO., LTD. (JP) 1995-01-03 US disclosed
EP-0556008-A1 Condensed imidazopyridine derivatives with psychotropic activity SHIONOGI & CO., LTD. (JP) 1993-08-18 EP disclosed