SCHEMBL4751540

SCHEMBL4751540

O=Cc1cccc(OCOCCF)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.53
MAOB P27338 7/20 0.53
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
TDP1 Q9NUW8 1/20 0.48
SRC P12931 1/20 0.44
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
LCK P06239 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TLR4 O00206 1/20 0.37
TLR2 O60603 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 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
SCHEMBL29935870 0.87 MAOA (0.58) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL2539617 0.87 MAOA (0.58) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL5001878 0.83 NPC1 (0.54) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL2533902 0.82 MAOA (0.57) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL31139224 0.82 MAOA (0.57) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL10032066 0.82 ALDH1A1 (0.49) RAB9AKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8111540 0.81 MAOA (0.55) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL30833931 0.81 MAOA (0.55) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL5315248 0.80 MAOA (0.62) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL5543437 0.79 MAOA (0.66) MAOAMAOBNPC1RAB9ATDP1

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-2008141239-A1 IMIDAZOL [1,2-A] PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2008-11-20 WO disclosed