SCHEMBL7003701

SCHEMBL7003701

Nc1cc(-n2cc(C(=O)O)c(=O)c3cc(F)c(Cl)nc32)c(Cl)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.44
FLT4 P35916 1/20 0.44
GSK3B P49841 1/20 0.44
RARB P10826 1/20 0.44
TBXAS1 P24557 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 2/20 0.43
TOP1 P11387 5/20 0.41
CYP2C9 P11712 3/20 0.41
CYP3A4 P08684 2/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
NFKB1 P19838 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL7007504 0.92 EPHA2 (0.47) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7007359 0.91 EPHA2 (0.46) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7011593 0.89 EPHA2 (0.43) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7014638 0.87 EPHA2 (0.44) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7008151 0.85 STAT3 (0.43) KMT2ALMNAKDM4EALDH1A1POLB
SCHEMBL7008218 0.83 PIM1 (0.46) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7013070 0.83 KMT2A (0.60) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7012178 0.83 TOP1 (0.43) KMT2ATOP1CYP2C9CYP3A4LMNA
SCHEMBL8483515 0.82 LMNA (0.61) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7004281 0.82 TOP1 (0.45) KMT2ATOP1CYP2C9CYP3A4LMNA

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-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-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