SCHEMBL7010638

SCHEMBL7010638

CCOC(=O)c1cn(-c2cc(NC=O)c(F)cc2F)c2c(F)c(F)c(F)c(NCc3ccccc3)c2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
STAT3 P40763 3/20 0.45
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
PIM1 P11309 1/20 0.36
IRAK1 P51617 1/20 0.36
CAMK2B Q13554 1/20 0.36
CAMK2G Q13555 1/20 0.36
CAMK2D Q13557 1/20 0.36
PIM3 Q86V86 1/20 0.36
HSD17B10 Q99714 2/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35

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
SCHEMBL7008549 0.86 STAT3 (0.61) HTTSTAT3ALDH1A1HPGDKDM4E
SCHEMBL7003480 0.83 STAT3 (0.52) HTTSTAT3ALDH1A1HPGDKDM4E
SCHEMBL7858504 0.80 HTT (0.48) HTTSTAT3ALDH1A1LMNAMAPT
SCHEMBL9520141 0.78 STAT3 (0.52) HTTSTAT3ALDH1A1LMNAMAPT
SCHEMBL7861222 0.77 HTT (0.45) HTTSTAT3ALDH1A1LMNAMAPT
SCHEMBL7012730 0.75 HTT (0.47) HTTSTAT3SMN1; SMN2TDP1PIM1
SCHEMBL1345135 0.75 GSK3B (0.50) HTTSTAT3ALDH1A1LMNAMAPT
SCHEMBL8801694 0.75 CA12 (0.32) MAPTSMN1; SMN2PIM1TP53
SCHEMBL7003690 0.75 STAT3 (0.51) HTTSTAT3ALDH1A1LMNAMAPT
SCHEMBL9268466 0.73 STAT3 (0.43) HTTSTAT3ALDH1A1LMNAMAPT

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