SCHEMBL12499879

SCHEMBL12499879

CCOC(=O)c1c(Cc2ccc(C(F)(F)F)cc2)nn(C)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CRHBP P24387 1/20 0.46
KMT2A Q03164 1/20 0.46
CRHR2 Q13324 1/20 0.46
ALOX5 P09917 2/20 0.45
MAOB P27338 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
SLC34A1 Q06495 1/20 0.40
ADORA1 P30542 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38

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
SCHEMBL12498738 0.90 MAPT (0.47) MAPTKDM4EMEN1HSP90AA1KMT2A
SCHEMBL12499717 0.87 KDM4E (0.46) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL12499656 0.85 MAPT (0.43) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL12499852 0.84 PTGES (0.43) MAPTKDM4EKMT2AALOX5ALDH1A1
SCHEMBL12499736 0.84 SRD5A2 (0.46) MEN1KMT2ALMNAPOLB
SCHEMBL12499891 0.81 KMT2A (0.51) MAPTKDM4EMEN1KMT2AALOX5
SCHEMBL12499839 0.79 LMNA (0.43) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL12498729 0.77 SRD5A2 (0.46) ALDH1A1LMNAPOLBNPC1
SCHEMBL20427919 0.76 PDE4D (0.43) MAPTKDM4EKMT2AALDH1A1LMNA
SCHEMBL24208609 0.75 IDH1 (0.45) MAPTKDM4EMEN1HSP90AA1CRHBP

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