SCHEMBL5770809

SCHEMBL5770809

C#CCOc1cc(Cl)cc(F)c1-c1ccc(C(F)(F)F)n(C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.33
HSD11B1 P28845 1/20 0.33
HPGD P15428 2/20 0.32
MAOB P27338 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 1/20 0.32
AGPAT2 O15120 1/20 0.31
EGFR P00533 2/20 0.31
TSHR P16473 1/20 0.31
PDGFRB P09619 1/20 0.30
FGFR1 P11362 1/20 0.30
SRC P12931 1/20 0.30
PDGFRA P16234 1/20 0.30
STAT5A P42229 1/20 0.30
ACVR1 Q04771 1/20 0.30
PKMYT1 Q99640 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 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
SCHEMBL5773913 0.74 PGK1 (0.34) AGPAT2EGFR
SCHEMBL8168237 0.74 EGFR (0.30) MAOBEGFR
SCHEMBL5773940 0.73 IDH1 (0.32) IDH1HSD11B1AGPAT2
SCHEMBL5775116 0.72 HSD11B1 (0.47) IDH1HSD11B1CYP2C9NPC1ALDH1A1
SCHEMBL8187343 0.71 PGK1 (0.35) AGPAT2ALDH1A1
SCHEMBL5774967 0.70 LMNA (0.33) KMT2A
SCHEMBL5775851 0.69 PGK1 (0.33) HSD11B1AGPAT2
SCHEMBL8192987 0.68 PGK1 (0.36) KMT2AAGPAT2
SCHEMBL8176592 0.68 HPGD (0.37) HPGDMAOBKMT2ATSHR
SCHEMBL5776158 0.66 IDH1 (0.33) IDH1HSD11B1NPC1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885885-B1 PYRIDONE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2006-01-04 EP disclosed
US-6472348-B1 Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2002-10-29 US disclosed
US-6265349-B1 Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD (JP) 2001-07-24 US disclosed
US-6048823-A Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2000-04-11 US disclosed
EP-0885885-A1 PYRIDONE DERIVATIVES AND HERBICIDES KumaiI Chemical Industry Co., Ltd. (JP) 1998-12-23 EP disclosed