SCHEMBL7003690

SCHEMBL7003690

CCOC(=O)c1cn(-c2cc(NC=O)c(F)cc2F)c2c(Cl)c(F)c(F)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.51
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 2/20 0.40
ADRB2 P07550 1/20 0.39
NPC1 O15118 1/20 0.37
POLB P06746 2/20 0.35
HSP90AA1 P07900 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PIM1 P11309 1/20 0.35
IRAK1 P51617 1/20 0.35
CAMK2B Q13554 1/20 0.35
CAMK2G Q13555 1/20 0.35
CAMK2D Q13557 1/20 0.35
PIM3 Q86V86 1/20 0.35
LMNA P02545 1/20 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
SCHEMBL7007984 0.94 STAT3 (0.50) STAT3KMT2AHTTKDM4EHPGD
SCHEMBL6578865 0.89 STAT3 (0.50) STAT3KMT2AHTTKDM4EHPGD
SCHEMBL6580697 0.86 STAT3 (0.52) STAT3KMT2AHTTKDM4EHPGD
SCHEMBL7004404 0.85 STAT3 (0.43) STAT3KMT2AHTTKDM4EHPGD
SCHEMBL7005266 0.84 STAT3 (0.46) STAT3KMT2AHTTKDM4EHPGD
SCHEMBL7007759 0.84 STAT3 (0.52) STAT3KMT2AHTTKDM4EHPGD
SCHEMBL7010606 0.84 STAT3 (0.55) STAT3KMT2AHTTKDM4EHPGD
SCHEMBL7008549 0.83 STAT3 (0.61) STAT3KMT2AHTTKDM4EHPGD
SCHEMBL7004211 0.83 STAT3 (0.53) STAT3KMT2AHTTKDM4EHPGD
SCHEMBL7011670 0.83 STAT3 (0.53) STAT3KMT2AHTTKDM4EHPGD

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