SCHEMBL7857503

SCHEMBL7857503

CCOC(=O)c1cn(-c2nc(N)c(F)cc2F)c2c(F)c(F)c(F)c(N)c2c1=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.56
HTT P42858 3/20 0.55
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
TBK1 Q9UHD2 1/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL7857491 0.94 STAT3 (0.64) STAT3HTTCYP3A4CYP2C9TSHR
SCHEMBL7858473 0.84 CYP3A4 (0.52) STAT3HTTCYP3A4CYP2C9KDM4E
SCHEMBL7858504 0.83 HTT (0.48) STAT3HTTCYP3A4CYP2C9TSHR
SCHEMBL10018778 0.81 CYP3A4 (0.56) STAT3HTTCYP3A4CYP2C9TBK1
SCHEMBL7857527 0.80 CYP3A4 (0.50) STAT3HTTCYP3A4CYP2C9ALDH1A1
SCHEMBL7861232 0.78 STAT3 (0.59) STAT3HTTCYP3A4CYP2C9KMT2A
SCHEMBL7003480 0.77 STAT3 (0.52) STAT3HTTTSHRCASP1KMT2A
SCHEMBL7857479 0.76 HTT (0.41) STAT3HTTCYP3A4CYP2C9KMT2A
SCHEMBL7004180 0.76 CYP3A4 (0.57) STAT3HTTCYP3A4CYP2C9ALDH1A1
SCHEMBL6578748 0.75 STAT3 (0.49) STAT3HTTCYP2C9TSHRCASP1

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 7 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
US-6156903-A Pyridonecarboxylic acid derivatives or their salts, and antibacterial agents containing the same as their effective components WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-12-05 US disclosed
US-6133284-A EXCELLENT BACTERICIDAL PROPERTIES AND ORAL ABSORPTION; INFECTIONS FROM GRAMNEGATIVE AND -POSITIVE BACTERIA; INTESTINAL ABSORPTION, METABOLIC STABILITY; SIDE EFFECT REDUCTION; NONPHOTOTOXICITY AND NONCYTOTOXICITY WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-10-17 US 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