SCHEMBL6578587

SCHEMBL6578587

Cc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(-c3cc(N)c(F)cc3F)c12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 8/20 0.54
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TOP2A P11388 11/20 0.44
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
PIM1 P11309 1/20 0.40
TOP2B Q02880 5/20 0.40
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6578445 0.92 TOP1 (0.53) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL7011151 0.91 TOP1 (0.49) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL6578430 0.90 TOP1 (0.52) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL7009143 0.90 TOP1 (0.57) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL7006508 0.89 TOP1 (0.54) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL20912591 0.88 TOP1 (0.50) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL7006859 0.87 TOP1 (0.52) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL7008222 0.87 TOP1 (0.47) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL7014048 0.87 TOP1 (0.46) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL7011903 0.87 TOP1 (0.46) TOP1KDM4EALDH1A1POLBHSP90AA1

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 9 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
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-6211375-B1 IMPROVED INTESTINAL ABSORPTION WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US 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-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
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