SCHEMBL12499717

SCHEMBL12499717

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
MAPT P10636 5/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 2/20 0.41
PRKCA P17252 1/20 0.41
PRKCD Q05655 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
GRM5 P41594 1/20 0.40

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
SCHEMBL12499891 0.88 KMT2A (0.51) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL12499879 0.87 MAPT (0.46) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL12499319 0.87 KDM4E (0.43) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL12498747 0.85 AADAT (0.43) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL12499852 0.83 PTGES (0.43) KDM4EMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL12498738 0.81 MAPT (0.47) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL12498769 0.81 GPR52 (0.44) KDM4EMAPTKMT2AMEN1THRB
SCHEMBL12499305 0.79 AADAT (0.43) ALDH1A1SMN1; SMN2POLBNPSR1
SCHEMBL5055900 0.76 KDM4E (0.48) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL9734321 0.74 MAPT (0.46) 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