SCHEMBL1383230

SCHEMBL1383230

CC(OS(=O)(=O)c1cncc(C#Cc2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)c1)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.42
ALDH1A1 P00352 9/20 0.42
HPGD P15428 9/20 0.42
HSD17B10 Q99714 6/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 2/20 0.40
CASP1 P29466 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP3A4 P08684 2/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 3/20 0.38
CASP7 P55210 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
SCHEMBL1349736 0.84 HPGD (0.46) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL1348343 0.84 HPGD (0.46) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL1348288 0.84 HPGD (0.46) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL1348029 0.81 HPGD (0.52) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL1348980 0.81 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL1349206 0.80 HPGD (0.44) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL1347085 0.79 HPGD (0.41) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL1348454 0.79 HPGD (0.41) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL1347485 0.79 HPGD (0.41) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL1348355 0.79 HPGD (0.41) KDM4EALDH1A1HPGDHSD17B10L3MBTL1

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
JP-4801724-B2 2011-10-26 JP claimed