SCHEMBL6578653

SCHEMBL6578653

CCOC(=O)c1cn(-c2cc(NC(=O)OC(C)(C)C)c(F)cc2F)c2c(C)c(F)c(F)c([N+](=O)[O-])c2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
STAT3 P40763 2/20 0.39
ALDH1A1 P00352 7/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 2/20 0.33
GALR2 O43603 1/20 0.33
MITF O75030 1/20 0.33
HSP90AA1 P07900 1/20 0.33
XBP1 P17861 1/20 0.33
CCR6 P51684 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
RORC P51449 1/20 0.31
MAP2K2 P36507 1/20 0.31
MAP2K1 Q02750 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 0.90 STAT3 (0.44) HTTSTAT3ALDH1A1HPGDKDM4E
SCHEMBL7005206 0.87 STAT3 (0.40) HTTSTAT3ALDH1A1LMNAMAPT
SCHEMBL7012204 0.87 ALDH1A1 (0.42) HTTSTAT3ALDH1A1LMNAMAPT
SCHEMBL7010446 0.87 STAT3 (0.41) HTTSTAT3ALDH1A1HPGDKDM4E
SCHEMBL7009252 0.86 STAT3 (0.40) HTTSTAT3ALDH1A1LMNAMAPT
SCHEMBL7011160 0.84 STAT3 (0.38) HTTSTAT3ALDH1A1LMNAMAPT
SCHEMBL7004413 0.84 STAT3 (0.41) HTTSTAT3ALDH1A1LMNAMAPT
SCHEMBL6576291 0.83 STAT3 (0.47) HTTSTAT3ALDH1A1MAPTHPGD
SCHEMBL7011775 0.81 STAT3 (0.40) HTTSTAT3ALDH1A1HPGDKDM4E
SCHEMBL7005366 0.80 HTT (0.40) HTTSTAT3ALDH1A1LMNAMAPT

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-0897919-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2004-06-16 EP disclosed
US-6211375-B1 IMPROVED INTESTINAL ABSORPTION WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0897919-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-02-24 EP disclosed