SCHEMBL9045934

SCHEMBL9045934

CCOC(=O)c1cn(-c2ccon2)c2cc(F)c(F)c(Cl)c2c1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
STAT3 P40763 2/20 0.44
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
PKM P14618 1/20 0.36
HSD17B10 Q99714 1/20 0.35
P2RX7 Q99572 2/20 0.35
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
GAA P10253 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
SCHEMBL9047636 0.89 HTT (0.46) HTTSTAT3KMT2AKDM4EHPGD
SCHEMBL9057013 0.85 HTT (0.46) HTTSTAT3KMT2ANPC1KDM4E
SCHEMBL9047265 0.85 ALDH1A1 (0.40) HTTSTAT3KMT2AKDM4EHPGD
SCHEMBL9046444 0.85 STAT3 (0.51) HTTSTAT3KMT2ANPC1KDM4E
SCHEMBL9046936 0.83 KMT2A (0.54) HTTSTAT3KMT2ANPC1KDM4E
SCHEMBL9044625 0.83 HTT (0.41) HTTSTAT3KMT2ATSHRPKM
SCHEMBL9047198 0.81 STAT3 (0.59) HTTSTAT3KMT2AKDM4EHPGD
SCHEMBL9047564 0.79 ALDH1A1 (0.40) HTTSTAT3KMT2AKDM4EHPGD
SCHEMBL9047236 0.78 STAT3 (0.60) HTTSTAT3KMT2ANPC1KDM4E
SCHEMBL8112568 0.75 HTT (0.57) HTTSTAT3KMT2ANPC1KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700912-A1 QUINOLONE DERIVATIVE OR SALT THEREOF, AND ANTIBACTERIAL CONTAINING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1996-03-13 EP disclosed