SCHEMBL7304944

SCHEMBL7304944

O=C(Nc1cc2c([n+]([O-])c1)CCOC2)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 3/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
NPY5R Q15761 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32
STS P08842 1/20 0.30
POLB P06746 1/20 0.30
ABCC9 O60706 1/20 0.30
ABCC8 Q09428 1/20 0.30
KCNJ11 Q14654 1/20 0.30
KCNJ8 Q15842 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
SCHEMBL7296584 0.72 ANO1 (0.39) ANO1CA12CA1CA2CA9
SCHEMBL7299757 0.69 MEN1 (0.35) CA12CA1CA2CA9
SCHEMBL22920036 0.68 SMN1; SMN2 (0.49) CA12CA1CA2CA9L3MBTL1
SCHEMBL7300020 0.67 BACE1 (0.34)
SCHEMBL4476938 0.62 CA12 (0.52) CA12CA1CA2CA9L3MBTL1
SCHEMBL7490063 0.61 PTGES (0.41) L3MBTL1SMN1; SMN2GAACYP1A2CYP2C9
SCHEMBL9389498 0.59 KCNH2 (0.52) L3MBTL1NPY5RSMN1; SMN2GAACYP1A2
SCHEMBL20418656 0.59 NR3C1 (0.62) KDM4EPOLB
SCHEMBL5572981 0.58 MAPT (0.61)
SCHEMBL10751140 0.58 BAZ2B (0.55) L3MBTL1SMN1; SMN2GAACYP1A2CYP2C9

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