SCHEMBL13403441

SCHEMBL13403441

CN(C)c1cc(=O)n2cccc(OS(=O)(=O)C(F)(F)F)c2n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MPI P34949 1/20 0.37
PRKDC P78527 1/20 0.35
PIK3CD O00329 2/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
DRD2 P14416 3/20 0.31
DRD3 P35462 2/20 0.31
ESR2 Q92731 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
HTR1D P28221 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 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
SCHEMBL3555030 0.75 PIK3CD (0.58) PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL3718193 0.73 PIK3CD (0.42) PIK3CDPIK3CAPIK3CB
SCHEMBL3721705 0.73 PIK3CD (0.42) PIK3CDPIK3CAPIK3CB
SCHEMBL3714687 0.73 PRKDC (0.41) PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL29241984 0.71 LMNA (0.37) LMNAKDM4EALDH1A1GLAGAA
SCHEMBL10265840 0.68 DRD2 (0.33) DRD2DRD3ESR2DRD1DRD4
SCHEMBL8442883 0.68 PSEN1 (0.35) KDM4EALDH1A1DRD2DRD3DRD1
SCHEMBL15061745 0.66 DRD2 (0.32) DRD2DRD3ESR2DRD1DRD4
SCHEMBL588949 0.64 DRD2 (0.31) DRD2DRD3ESR2DRD1DRD4
SCHEMBL875453 0.64 LMNA (0.44) LMNAKDM4EALDH1A1GLAGAA

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
US-7696203-B2 DNA-PK inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2010-04-13 US disclosed