SCHEMBL12499656

SCHEMBL12499656

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALOX5 P09917 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CRHBP P24387 1/20 0.43
KMT2A Q03164 1/20 0.43
CRHR2 Q13324 1/20 0.43
SLC34A1 Q06495 1/20 0.40
MAOB P27338 1/20 0.38
POLB P06746 2/20 0.38
PPARG P37231 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
IDH1 O75874 1/20 0.37
EPHX2 P34913 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL12499319 0.88 KDM4E (0.43) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL12499698 0.87 MAPT (0.47) MAPTALOX5KDM4EHSP90AA1KMT2A
SCHEMBL12499879 0.85 MAPT (0.46) MAPTALOX5KDM4EMEN1HSP90AA1
SCHEMBL12499317 0.85 SRD5A2 (0.43) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL12499589 0.82 ALOX5 (0.43) MAPTALOX5KDM4EMEN1KMT2A
SCHEMBL12499839 0.76 LMNA (0.43) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL12498738 0.76 MAPT (0.47) MAPTALOX5KDM4EMEN1HSP90AA1
SCHEMBL24208609 0.75 IDH1 (0.45) MAPTALOX5KDM4EMEN1HSP90AA1
SCHEMBL12498729 0.74 SRD5A2 (0.46) POLBALDH1A1LMNAIDH1
SCHEMBL12499717 0.73 KDM4E (0.46) MAPTKDM4EMEN1KMT2APOLB

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