SCHEMBL7005262

SCHEMBL7005262

C[C@@H]1[C@@H](N)CN1c1nc2c(cc1F)c(=O)c(C(=O)O)cn2-c1cc(N)c(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.54
FLT4 P35916 1/20 0.54
GSK3B P49841 1/20 0.54
RARB P10826 1/20 0.54
TBXAS1 P24557 1/20 0.54
SLC6A3 Q01959 1/20 0.54
KMT2A Q03164 1/20 0.53
LMNA P02545 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
XBP1 P17861 1/20 0.52
NFKB1 P19838 1/20 0.52
HTT P42858 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
CYP2C9 P11712 3/20 0.45
CYP3A4 P08684 2/20 0.45

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
SCHEMBL7005284 1.00 EPHA2 (0.54) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7005274 1.00 EPHA2 (0.54) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7011906 0.89 EPHA2 (0.54) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9147028 0.87 EPHA2 (0.71) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9147035 0.87 EPHA2 (0.71) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7012729 0.86 EPHA2 (0.60) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7009213 0.86 EPHA2 (0.60) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7006904 0.86 EPHA2 (0.60) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7006545 0.86 EPHA2 (0.60) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL8484106 0.85 KMT2A (0.66) EPHA2FLT4GSK3BRARBTBXAS1

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