SCHEMBL27979669

SCHEMBL27979669

COC(=O)c1cc(CN(C)C)cc2c1c(C)cn2C(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
EZH2 Q15910 3/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GSR P00390 1/20 0.32
HTR6 P50406 1/20 0.31
LSS P48449 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL27972988 0.86 GSR (0.34) EZH2ALDH1A1GSREZH1HRH3
SCHEMBL2587259 0.79 CA12 (0.37) EZH2CA12CA1CA2CA9
SCHEMBL2587361 0.79 CA12 (0.35) EZH2CA12CA1CA2CA9
SCHEMBL27973025 0.79 CYP1A2 (0.38) ALDH1A1MAPTGAAKDM4ETSHR
SCHEMBL2592384 0.76 LMNA (0.38) EZH2CA12CA1CA2CA9
SCHEMBL19621034 0.73 CA12 (0.32) EZH2CA12CA1CA2CA9
SCHEMBL2592122 0.72 CA12 (0.36) EZH2CA12CA1CA2CA9
SCHEMBL14917583 0.71 EZH2 (0.42) EZH2CA12CA1CA2CA9
SCHEMBL2588982 0.70 EZH2 (0.40) EZH2CA12CA1CA2CA9
SCHEMBL2589118 0.70 EZH2 (0.38) EZH2ALDH1A1MAPTKDM4EHSD17B10

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
CN-104039956-A Method of treatment GLAXOSMITHKLINE IP NO 2 LTD 2014-09-10 CN disclosed