SCHEMBL7010691

SCHEMBL7010691

CNc1c(F)c(O)c2c(=O)c(C(=O)O)cn(-c3cc(N)c(F)cc3F)c2c1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.39
TOP1 P11387 6/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
GSK3B P49841 4/20 0.34
TOP2A P11388 6/20 0.33
PIM1 P11309 2/20 0.33
TOP2B Q02880 2/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
FOXO1 Q12778 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
SCHEMBL7009868 0.92 TOP1 (0.39) STAT3TOP1ALDH1A1HTTGSK3B
SCHEMBL7011082 0.89 STAT3 (0.43) STAT3TOP1ALDH1A1HTTGSK3B
SCHEMBL7008690 0.83 TOP1 (0.38) STAT3TOP1ALDH1A1HTTGSK3B
SCHEMBL7007135 0.83 STAT3 (0.54) STAT3TOP1ALDH1A1HTTGSK3B
SCHEMBL6576283 0.83 TOP1 (0.43) STAT3TOP1ALDH1A1HTTGSK3B
SCHEMBL7014048 0.83 TOP1 (0.46) TOP1ALDH1A1TOP2APIM1TOP2B
SCHEMBL20912614 0.82 TOP1 (0.36) STAT3TOP1ALDH1A1HTTGSK3B
SCHEMBL6581471 0.81 TOP2A (0.42) STAT3TOP1ALDH1A1HTTGSK3B
SCHEMBL7009597 0.80 GSK3B (0.44) STAT3TOP1ALDH1A1HTTGSK3B
SCHEMBL7009554 0.79 ALDH1A1 (0.36) STAT3TOP1ALDH1A1HTTGSK3B

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 7 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
EP-0787720-B1 PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KK (JP) 2003-07-16 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
US-5910498-A NOVEL COMPOUNDS HAVING REDUCED CYTOTOXICITY, PHOTOTOXICITY; TREATING BACTERIAL AND VIRAL INFECTIONS WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1999-06-08 US disclosed
EP-0787720-A1 NOVEL PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-06 EP disclosed
EP-0387802-A2 5-Substituted-1,4-dihydro-4-oxonaphthyridine-3-carboxylate antibacterial agents Bristol-Myers Squibb Company (US) 1990-09-19 EP disclosed