SCHEMBL6581471

SCHEMBL6581471

Cc1c(F)c(F)c(N)c2c(=O)c(C(=O)O)cn(-c3cc(N)c(F)cc3F)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 5/20 0.42
TOP2B Q02880 2/20 0.42
TOP1 P11387 5/20 0.41
ALDH1A1 P00352 2/20 0.41
STAT3 P40763 1/20 0.41
HTT P42858 1/20 0.41
GSK3B P49841 6/20 0.39
POLB P06746 2/20 0.38
CACNA1F O60840 1/20 0.38
MAPK1 P28482 1/20 0.38
CACNA1D Q01668 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
FOXO1 Q12778 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSP90AA1 P07900 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SLC2A1 P11166 1/20 0.35
PIM1 P11309 1/20 0.34

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
SCHEMBL6576283 0.93 TOP1 (0.43) TOP2ATOP2BTOP1ALDH1A1STAT3
SCHEMBL7011082 0.90 STAT3 (0.43) TOP2ATOP2BTOP1ALDH1A1STAT3
SCHEMBL7008719 0.90 STAT3 (0.52) TOP2ATOP2BTOP1ALDH1A1STAT3
SCHEMBL7006109 0.87 TOP1 (0.41) TOP2ATOP2BTOP1ALDH1A1STAT3
SCHEMBL6578748 0.86 STAT3 (0.49) ALDH1A1STAT3HTTKDM4EPIM1
SCHEMBL7005814 0.85 TOP1 (0.40) TOP2ATOP2BTOP1ALDH1A1STAT3
SCHEMBL7013500 0.84 TOP1 (0.40) TOP2ATOP2BTOP1ALDH1A1STAT3
SCHEMBL6578587 0.83 TOP1 (0.54) TOP2ATOP2BTOP1ALDH1A1POLB
SCHEMBL7009868 0.83 TOP1 (0.39) TOP2ATOP2BTOP1ALDH1A1STAT3
SCHEMBL20912588 0.82 TOP1 (0.40) TOP2ATOP2BTOP1ALDH1A1STAT3

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