SCHEMBL12499319

SCHEMBL12499319

CCOC(=O)c1c(Cc2cccc(C(F)(F)F)c2)nn(C)c1C(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
MAPT P10636 6/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
XPO1 O14980 1/20 0.40
TP53 P04637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCD Q05655 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 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
SCHEMBL12499656 0.88 MAPT (0.43) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL12499717 0.87 KDM4E (0.46) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL12499380 0.86 AADAT (0.41) MAPTKMT2AMEN1
SCHEMBL12499589 0.81 ALOX5 (0.43) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL12499698 0.79 MAPT (0.47) KDM4EMAPTKMT2AALDH1A1HPGD
SCHEMBL12498769 0.78 GPR52 (0.44) KDM4EMAPTKMT2AMEN1THRB
SCHEMBL12499305 0.76 AADAT (0.43) ALDH1A1SMN1; SMN2POLB
SCHEMBL12499891 0.76 KMT2A (0.51) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL12498747 0.74 AADAT (0.43) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5055900 0.73 KDM4E (0.48) KDM4EMAPTKMT2AMEN1ALDH1A1

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-2012103071-A2 COMPOUNDS AND COMPOSITIONS EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-02 WO disclosed