SCHEMBL4181229

SCHEMBL4181229

CC(=O)N1CCN(c2ccc(N)c(OC(F)(F)F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.54
GFER P55789 1/20 0.54
CREBBP Q92793 1/20 0.49
PDK2 Q15119 1/20 0.47
ALK Q9UM73 6/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
RORC P51449 3/20 0.43
ENPP2 Q13822 2/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL11344943 0.88 IP6K1 (0.43) CASP6GFERCREBBPRORC
SCHEMBL2724815 0.85 MAPT (0.54) PDK2ALKMEN1MAPTKMT2A
SCHEMBL4178461 0.85 AKR1C3 (0.46) ALKMAPTENPP2EGFR
SCHEMBL2205957 0.84 CASP6 (0.59) CASP6GFERALKMEN1MAPT
SCHEMBL29771877 0.82 GAA (0.56) GFERPDK2MEN1MAPTKMT2A
SCHEMBL409735 0.82 GAA (0.56) GFERPDK2MEN1MAPTKMT2A
SCHEMBL16752966 0.82 CASP6 (0.54) CASP6GFERALKMEN1MAPT
SCHEMBL28469637 0.82 CASP6 (0.56) CASP6GFERPDK2ALKMEN1
Hydrochloric Acid SCHEMBL3502999 0.81 MAPT (0.55) GFERPDK2MEN1MAPTKMT2A
SCHEMBL29673386 0.81 MAPT (0.46) PDK2MAPTKMT2A

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-2012061299-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-05-10 WO disclosed