SCHEMBL7010606

SCHEMBL7010606

CCOC(=O)c1cn(-c2c(F)cc(F)c(NC=O)c2F)c2c(Cl)c(F)c(F)cc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 4/20 0.55
ADRB2 P07550 1/20 0.42
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
NPC1 O15118 1/20 0.37
PIM1 P11309 2/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 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 0.84 STAT3 (0.51) STAT3ADRB2KMT2AKDM4EHPGD
SCHEMBL7006573 0.84 STAT3 (0.61) STAT3ADRB2KMT2AKDM4EHPGD
SCHEMBL7007984 0.81 STAT3 (0.50) STAT3ADRB2KMT2AKDM4EHPGD
SCHEMBL7004323 0.81 STAT3 (0.54) STAT3ADRB2KMT2AKDM4EHPGD
SCHEMBL7005983 0.78 HTT (0.56) STAT3ADRB2KMT2AKDM4EHPGD
SCHEMBL7011670 0.78 STAT3 (0.53) STAT3ADRB2KMT2AKDM4EHPGD
SCHEMBL7007759 0.77 STAT3 (0.52) STAT3ADRB2KMT2AKDM4EHPGD
SCHEMBL6578865 0.76 STAT3 (0.50) STAT3ADRB2KMT2AKDM4EHPGD
SCHEMBL2919185 0.76 STAT3 (0.49) STAT3ADRB2KMT2AKDM4EHPGD
SCHEMBL5528631 0.76 HTT (0.53) STAT3ADRB2KMT2AKDM4EHPGD

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