SCHEMBL7009626

SCHEMBL7009626

CNc1cc(-n2cc(C(=O)O)c(=O)c3cc(F)c(F)c(Cl)c32)c(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 6/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
HSP90AA1 P07900 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 3/20 0.42
PIM1 P11309 2/20 0.41
LMNA P02545 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TOP2A P11388 4/20 0.39
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CYP2C19 P33261 1/20 0.37
RORC P51449 1/20 0.37
TOP2B Q02880 1/20 0.36

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
SCHEMBL8178742 0.91 PIM1 (0.42) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL7011077 0.90 TOP1 (0.48) TOP1KDM4EALDH1A1POLBHSP90AA1
Methylamine SCHEMBL7006667 0.89 PIM1 (0.43) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL7012382 0.84 TOP1 (0.48) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL7014270 0.84 TOP1 (0.51) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL7006508 0.84 TOP1 (0.54) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL7007473 0.83 CYP3A4 (0.65) TOP1ALDH1A1POLBCYP3A4CYP2C9
SCHEMBL7008534 0.83 TOP1 (0.42) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL7009803 0.83 TOP1 (0.45) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL6210375 0.82 TOP1 (0.53) 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 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