SCHEMBL7012967

SCHEMBL7012967

O=C(O)c1cc(F)c(Br)c(OC(F)F)c1F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TEAD4 Q15561 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGER1 P34995 3/20 0.32
KDM4E B2RXH2 1/20 0.31
ASPH Q12797 1/20 0.31
KDM8 Q8N371 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
PLA2G1B P04054 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL7804048 0.85 KEAP1 (0.37) KEAP1NFE2L2TAS2R14ALDH1A1MEN1
SCHEMBL7016307 0.81 KEAP1 (0.35) KEAP1NFE2L2TAS2R14ALDH1A1MEN1
SCHEMBL7010260 0.80 HSD17B10 (0.49) KEAP1NFE2L2ALDH1A1MEN1MAPT
SCHEMBL7014156 0.77 HSD17B10 (0.35) KEAP1NFE2L2MAPTHSD17B10KDM4E
SCHEMBL7007708 0.76 ALDH1A1 (0.39) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL7499376 0.75 MAPT (0.36) TAS2R14ALDH1A1MEN1MAPTKMT2A
SCHEMBL10515953 0.75 KEAP1 (0.42) KEAP1NFE2L2KDM4EASPHKDM8
SCHEMBL31432576 0.73 LCK (0.43) KEAP1NFE2L2TAS2R14ALDH1A1MEN1
SCHEMBL8946849 0.72 KEAP1 (0.35) KEAP1NFE2L2ALDH1A1MAPTKDM4E
SCHEMBL22954479 0.71 CES2 (0.41) KEAP1NFE2L2TAS2R14ALDH1A1MEN1

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-0775702-B1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2003-07-23 EP disclosed
US-5935952-A ANTIBACTERIAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0775702-A1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-05-28 EP disclosed