SCHEMBL17486308

SCHEMBL17486308

CCc1cc2c(cc1-c1ncc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc1F)C(C)(C)OC2(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 9/20 0.36
ALOX5AP P20292 4/20 0.36
ATR Q13535 1/20 0.33
HPGDS O60760 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.32
DHODH Q02127 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR1A P08908 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
PRNP P04156 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL17486108 0.82 FEN1 (0.41) FEN1ALOX5APHPGDSL3MBTL1ALDH1A1
SCHEMBL17486212 0.81 MEN1 (0.34) FEN1ALOX5APATRL3MBTL1ALDH1A1
SCHEMBL17486328 0.73 PDGFRB (0.38) L3MBTL1ALDH1A1LMNAMAPTMAPK1
SCHEMBL17486348 0.68 MEN1 (0.35) FEN1ALOX5APL3MBTL1ALDH1A1LMNA
SCHEMBL17486341 0.68 MEN1 (0.39) HPGDSL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL17486202 0.68 RARG (0.35) FEN1ALOX5APL3MBTL1ALDH1A1MAPT
SCHEMBL17486161 0.67 FEN1 (0.34) FEN1ALOX5AP
SCHEMBL20319819 0.66 LMNA (0.47) FEN1ALOX5APL3MBTL1DHODHLMNA
SCHEMBL17427066 0.65 PDK2 (0.35) FEN1HPGDSL3MBTL1ALDH1A1MAPT
SCHEMBL28901470 0.65 NPC1 (0.45) HPGDSL3MBTL1ALDH1A1LMNAMAPT

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-2016015815-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-02-04 WO disclosed