SCHEMBL7299757

SCHEMBL7299757

O=C(Nc1cc2c([n+]([O-])c1)CCCC2)C(Cl)(Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL5586321 0.81 BAZ2B (0.44) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL7303721 0.69 ADRA2A (0.47) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8583712 0.65 KDM4E (0.32) MEN1KMT2AALDH1A1MAPT
SCHEMBL14212062 0.63
SCHEMBL569105 0.63
SCHEMBL12273121 0.63 KDM1A (0.32) ALDH1A1MAPTHPGD
SCHEMBL9403415 0.60 ALDH1A1 (0.30) ALDH1A1MAPTHPGD
SCHEMBL12696392 0.60 CA12 (0.32) CA12CA1CA2
SCHEMBL4711478 0.60 BCL2 (0.43) MEN1KMT2AALDH1A1
SCHEMBL29741112 0.60 KDM1A (0.32)

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