SCHEMBL7858505

SCHEMBL7858505

COc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4C[C@@H](N)[C@@H](C)C4)nc32)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
DPP4 P27487 6/20 0.53
LMNA P02545 3/20 0.52
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 3/20 0.52
ALDH1A1 P00352 2/20 0.52
POLB P06746 2/20 0.52
HPGD P15428 2/20 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
KMT2A Q03164 1/20 0.51
CHRM2 P08172 1/20 0.46

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
SCHEMBL7861239 0.86 KMT2A (0.69) 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
SCHEMBL7009734 0.83 EPHA2 (0.56) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL10905039 0.82 EPHA2 (0.79) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7015281 0.82 EPHA2 (0.62) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL8385866 0.80 DPP4 (0.74) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9685533 0.80 DPP4 (0.54) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0911327-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR THEIR SALTS AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2001-12-05 EP disclosed
EP-0992501-A2 Pyridonecarboxylic acid derivatives as antibacterial agents WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP disclosed
US-5998436-A Pyridonecarboxylic acid derivatives or their salts and antibacterial agent comprising the same as the active ingredient WAKUNAGA PHARMACEUTICALS CO., LTD. (JP) 1999-12-07 US disclosed
EP-0952151-A2 Intermediates for use in preparing novel pyridonecarboxylic acid derivatives or their salts WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-10-27 EP disclosed
EP-0911327-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR THEIR SALTS AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-04-28 EP disclosed