SCHEMBL7008218

SCHEMBL7008218

Nc1cc(-n2cc(C(=O)O)c(=O)c3cc(F)c(Cl)nc32)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.46
EPHA2 P29317 1/20 0.43
FLT4 P35916 1/20 0.43
GSK3B P49841 1/20 0.43
RARB P10826 1/20 0.43
TBXAS1 P24557 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TOP1 P11387 5/20 0.43
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
HSP90AA1 P07900 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL6211205 0.86 LMNA (0.50) PIM1EPHA2FLT4GSK3BRARB
SCHEMBL9535955 0.86 CAPN1 (0.49) PIM1EPHA2FLT4GSK3BRARB
SCHEMBL7012691 0.85 EPHA2 (0.45) PIM1EPHA2FLT4GSK3BRARB
SCHEMBL27810661 0.84 PIM1 (0.43) PIM1EPHA2FLT4GSK3BRARB
SCHEMBL7007504 0.84 EPHA2 (0.47) PIM1EPHA2FLT4GSK3BRARB
SCHEMBL7003701 0.83 EPHA2 (0.44) PIM1EPHA2FLT4GSK3BRARB
SCHEMBL7010440 0.83 TOP1 (0.45) PIM1EPHA2FLT4GSK3BRARB
SCHEMBL7013131 0.83 EPHA2 (0.48) PIM1EPHA2FLT4GSK3BRARB
SCHEMBL7011593 0.82 EPHA2 (0.43) PIM1EPHA2FLT4GSK3BRARB
SCHEMBL7014638 0.81 EPHA2 (0.44) PIM1EPHA2FLT4GSK3BRARB

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