SCHEMBL6281925

SCHEMBL6281925

Nc1[c]nccc1C(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.34
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
IDO1 P14902 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
KDM6B O15054 1/20 0.31
KDM4A O75164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4D Q6B0I6 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PLA2G2D Q9UNK4 1/20 0.30
ACHE P22303 1/20 0.30
ASPH Q12797 1/20 0.30

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
SCHEMBL8856874 0.69 CES1 (0.39) CES1MAPK1HTTIDO1KDM4E
SCHEMBL2068758 0.68 CHIA (0.38) HTTL3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL2068190 0.67 GLA (0.34) KDM4EALDH1A1KMT2A
SCHEMBL2069207 0.66 SMN1; SMN2 (0.50) L3MBTL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL31146203 0.66 KDM4E (0.47) CES1MAPK1HTTL3MBTL1KDM4E
SCHEMBL26917325 0.66 NAPRT (0.61) CES1MAPK1ATML3MBTL1KDM4E
SCHEMBL1921049 0.64 CES1 (0.34) CES1MAPK1HTTIDO1PLA2G2D
Hydrochloric Acid SCHEMBL27227698 0.64 NAPRT (0.59) CES1MAPK1ATML3MBTL1KDM4E
SCHEMBL15414819 0.64 SIRT3 (0.36) MAPK1HTTL3MBTL1KDM4EMEN1
SCHEMBL3037744 0.63 MAPT (0.50) CES1MAPK1HTTIDO1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6927193-B2 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2005-08-09 US disclosed
US-6613718-B2 2,3-Dihydro-2-thioxo-pyrimidinone derivatives ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-09-02 US disclosed
US-6479435-B1 OR DIARYL SULFIDES, 1-(4-CHLORO-2-FLUORO-5-(2-PYRIMIDYLOXY)PHENYL)-4-DIFLUOROMETHY L-3-METHYL-1,4-DIHYDRO-1,2,4-TRIAZOLIN-5-ONE FOR EXAMPLE ISK AMERICAS INCORPORATED 2002-11-12 US disclosed
US-6333296-B1 FOR CONTRILLING WEEDS ISK AMERICAS INCORPORATED 2001-12-25 US disclosed
US-6303543-B1 Diaryl ethers and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-10-16 US disclosed
US-6121201-A HETEROARYL SUBSTITUTED HALO-PYRAZOLE SUBSTITUTED DIARYL ETHERS OR THIOETHERS ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-09-19 US disclosed