SCHEMBL7997863

SCHEMBL7997863

CCOC(=O)c1cn([C@@H]2C[C@@H]2F)c2c(F)c(F)c(F)c(C)c2c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.54
HTT P42858 2/20 0.47
TSHR P16473 2/20 0.43
CASP1 P29466 1/20 0.43
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.40
ADRB2 P07550 1/20 0.39
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
TP53 P04637 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 2/20 0.34
TOP2A P11388 1/20 0.33

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
SCHEMBL8744098 1.00 STAT3 (0.54) STAT3HTTTSHRCASP1KDM4E
SCHEMBL4672032 0.93 STAT3 (0.62) STAT3HTTTSHRCASP1KDM4E
SCHEMBL8539874 0.93 STAT3 (0.62) STAT3HTTTSHRCASP1KDM4E
SCHEMBL9096244 0.93 STAT3 (0.62) STAT3HTTTSHRCASP1KDM4E
SCHEMBL13483600 0.89 STAT3 (0.52) STAT3HTTTSHRCASP1KDM4E
SCHEMBL8111555 0.86 STAT3 (0.56) STAT3HTTTSHRCASP1KDM4E
SCHEMBL4671582 0.86 STAT3 (0.46) STAT3HTTTSHRCASP1KDM4E
SCHEMBL13483601 0.86 STAT3 (0.48) STAT3HTTTSHRCASP1KDM4E
SCHEMBL7997875 0.85 GSK3B (0.45) STAT3HTTKDM4EALDH1A1CYP1A2
SCHEMBL8744082 0.85 GSK3B (0.45) STAT3HTTKDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593766-B1 PYRIDONECARBOXYLIC ACID DERIVATIVE DAIICHI SEIYAKU CO (JP) 2000-09-06 EP disclosed
US-5696132-A MICROBIOCIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-12-09 US disclosed
EP-0593766-A1 PYRIDONECARBOXYLIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed