SCHEMBL14346325

SCHEMBL14346325

CC(C)(C)c1cc(C(=O)Cn2cc(C#N)n(Cc3ccccc3)c2=N)cc(C(C)(C)C)c1O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2R P25116 10/20 0.64
MAOB P27338 6/20 0.44
MAOA P21397 3/20 0.43
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
Bromide SCHEMBL4340422 0.99 F2R (0.63) F2RMAOBMAOABCHEACHE
SCHEMBL14346327 0.92 F2R (0.64) F2RMAOBMAOABCHEACHE
Bromide SCHEMBL4353452 0.91 F2R (0.63) F2RMAOBMAOABCHEACHE
SCHEMBL14346288 0.86 F2R (0.69) F2RMAOBMAOABCHEACHE
SCHEMBL14369199 0.86 F2R (0.53) F2RMAOBMAOABCHEACHE
Bromide SCHEMBL4347253 0.85 F2R (0.67) F2RMAOBMAOABCHEACHE
SCHEMBL6360881 0.83 F2R (0.65) F2RMAOBMAOABCHEACHE
Bromide SCHEMBL4340619 0.82 F2R (0.64) F2RMAOBMAOABCHEACHE
SCHEMBL14369137 0.82 F2R (0.53) F2RMAOBMAOABCHEACHE
SCHEMBL14346350 0.82 F2R (0.63) F2RMAOBMAOABCHEACHE

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
US-7304083-B2 2-iminoimidazole derivatives (2) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-12-04 US disclosed