SCHEMBL7005300

SCHEMBL7005300

Nc1cc(-n2cc(C(=O)O)c(=O)c3cc(Cl)c(F)c(F)c32)c(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 8/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
TOP2A P11388 9/20 0.41
PIM1 P11309 1/20 0.41
HTT P42858 1/20 0.39
STAT3 P40763 1/20 0.39
CYP2C19 P33261 1/20 0.39
RORC P51449 1/20 0.39
TOP2B Q02880 3/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7009143 0.90 TOP1 (0.57) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL7006319 0.89 TOP1 (0.47) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL7006990 0.87 TOP1 (0.45) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL7006508 0.86 TOP1 (0.54) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL7012569 0.84 CYP3A4 (0.56) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL7009300 0.84 CYP3A4 (0.50) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL7008874 0.84 TOP1 (0.51) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL7007774 0.83 TOP1 (0.53) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL6578587 0.82 TOP1 (0.54) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL7006897 0.82 TOP1 (0.54) TOP1ALDH1A1KDM4EPOLBHSP90AA1

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 6 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