SCHEMBL4742519

SCHEMBL4742519

CCOC(=O)c1nc(C)oc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
HSP90AA1 P07900 1/20 0.52
CRHBP P24387 1/20 0.52
KMT2A Q03164 1/20 0.52
CRHR2 Q13324 1/20 0.52
MLYCD O95822 2/20 0.47
TARBP2 Q15633 6/20 0.46
FBP1 P09467 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PDCD4 Q53EL6 1/20 0.43
DHODH Q02127 1/20 0.43
FOS P01100 1/20 0.42
JUN P05412 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL29158666 0.85 TARBP2 (0.54) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL1965950 0.85 MEN1 (0.55) MAPTKDM4EMEN1KMT2ATARBP2
SCHEMBL4738984 0.85 GABRA2 (0.51) MAPTKDM4ETARBP2PDCD4
SCHEMBL4742423 0.85 TARBP2 (0.62) MAPTKDM4EMEN1KMT2ATARBP2
SCHEMBL6365824 0.84 TARBP2 (0.53) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL29158606 0.84 TARBP2 (0.63) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL7701393 0.83 TARBP2 (0.52) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL4743899 0.83 TARBP2 (0.64) MAPTKDM4ETARBP2PDCD4
SCHEMBL29158788 0.83 TARBP2 (0.66) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL29158751 0.83 TARBP2 (0.51) 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-2008087611-A2 PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-24 WO disclosed