SCHEMBL11002142

SCHEMBL11002142

CC(C)c1cc(Oc2cccc(C(F)(F)F)c2)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.47
MAPT P10636 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LTA4H P09960 1/20 0.42
KIF11 P52732 1/20 0.42
ADORA2A P29274 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
LMNA P02545 2/20 0.41
ATM Q13315 1/20 0.41
TTBK1 Q5TCY1 2/20 0.41
TTBK2 Q6IQ55 1/20 0.41
RAB9A P51151 1/20 0.40
CDK8 P49336 1/20 0.40
MAOB P27338 2/20 0.40
TEAD1 P28347 1/20 0.39
F10 P00742 1/20 0.39

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
SCHEMBL10924898 0.87 L3MBTL1 (0.47) L3MBTL1MAPTNPSR1MAPK1HTR2A
SCHEMBL5372821 0.81 NR4A1 (0.54) MAPTTSHR
SCHEMBL24155484 0.81 MAPT (0.50) L3MBTL1MAPTNPSR1LTA4HKIF11
SCHEMBL21359797 0.80 MAOB (0.55) MAPTLTA4HTSHRATMRAB9A
SCHEMBL12868961 0.79 LTA4H (0.49) L3MBTL1MAPTLTA4HKIF11TTBK1
SCHEMBL9861579 0.78 PDE2A (0.44) L3MBTL1MAPTNPSR1KIF11TSHR
SCHEMBL27579381 0.78 LTA4H (0.59) L3MBTL1MAPTNPSR1LTA4HKIF11
SCHEMBL9798371 0.78 LTA4H (0.54) L3MBTL1MAPTNPSR1LTA4HKIF11
SCHEMBL14020503 0.77 PPARG (0.51) L3MBTL1MAPTLTA4HKIF11HTR2A
SCHEMBL476378 0.77 ALDH1A1 (0.66) L3MBTL1MAPTNPSR1LTA4HKIF11

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
EP-0135155-A2 Barbituric acid derivatives CIBA-GEIGY AG (CH) 1985-03-27 EP disclosed