SCHEMBL7007984

SCHEMBL7007984

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.50
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ADRB2 P07550 1/20 0.39
NPC1 O15118 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
TOP1 P11387 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
SCHEMBL7003690 0.94 STAT3 (0.51) STAT3KMT2AHTTKDM4EHPGD
SCHEMBL6578865 0.88 STAT3 (0.50) STAT3KMT2AHTTKDM4EHPGD
SCHEMBL6580697 0.82 STAT3 (0.52) STAT3KMT2AHTTKDM4EHPGD
SCHEMBL7007759 0.82 STAT3 (0.52) STAT3KMT2AHTTKDM4EHPGD
SCHEMBL7008567 0.81 NPC1 (0.56) STAT3KMT2AHTTKDM4EHPGD
SCHEMBL7010606 0.81 STAT3 (0.55) STAT3KMT2AHTTKDM4EHPGD
SCHEMBL7004211 0.81 STAT3 (0.53) STAT3KMT2AHTTKDM4EHPGD
SCHEMBL7011670 0.81 STAT3 (0.53) STAT3KMT2AHTTKDM4EHPGD
SCHEMBL7005266 0.80 STAT3 (0.46) STAT3KMT2AHTTKDM4EHPGD
SCHEMBL7011343 0.80 STAT3 (0.52) 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 2 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