SCHEMBL7004413

SCHEMBL7004413

CCOC(=O)c1cn(-c2cc(NC(=O)OC(C)(C)C)c(F)cc2F)c2c(Cl)c(F)c(F)c(C)c2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.41
HTT P42858 2/20 0.41
WDR5 P61964 2/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MKNK2 Q9HBH9 1/20 0.33
MAP2K2 P36507 1/20 0.32
MAP2K1 Q02750 1/20 0.32
CMA1 P23946 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
CNR2 P34972 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31
BAZ2A Q9UIF9 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
SCHEMBL6581466 0.93 STAT3 (0.44) STAT3HTTKDM4EALDH1A1HPGD
SCHEMBL7011775 0.93 STAT3 (0.40) STAT3HTTWDR5KDM4EALDH1A1
SCHEMBL7005266 0.88 STAT3 (0.46) STAT3HTTWDR5KDM4EALDH1A1
SCHEMBL7010446 0.86 STAT3 (0.41) STAT3HTTKDM4EALDH1A1HPGD
SCHEMBL6576291 0.86 STAT3 (0.47) STAT3HTTWDR5KDM4EALDH1A1
SCHEMBL6578653 0.84 HTT (0.41) STAT3HTTKDM4EALDH1A1HPGD
SCHEMBL7008762 0.83 STAT3 (0.41) STAT3HTTWDR5KDM4EALDH1A1
SCHEMBL7008763 0.82 STAT3 (0.47) STAT3HTTKDM4EALDH1A1HPGD
SCHEMBL7010364 0.81 STAT3 (0.42) STAT3HTTKDM4EALDH1A1HPGD
SCHEMBL7004216 0.81 STAT3 (0.46) STAT3HTTKDM4EALDH1A1HPGD

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-0945435-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2003-08-13 EP disclosed
US-6136823-A BACTERICIDES OR VIRICIDES WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0945435-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed