SCHEMBL7016307

SCHEMBL7016307

Nc1c(F)cc(C(=O)O)c(F)c1OC(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.35
CRBN Q96SW2 1/20 0.34
NFE2L2 Q16236 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
TEAD4 Q15561 1/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ASPH Q12797 1/20 0.31
KDM8 Q8N371 1/20 0.31
PLA2G1B P04054 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30
GFER P55789 1/20 0.30
RXFP1 Q9HBX9 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) KEAP1NFE2L2TAS2R14ALDH1A1KMT2A
SCHEMBL7012967 0.81 KEAP1 (0.34) KEAP1NFE2L2TAS2R14ALDH1A1KMT2A
SCHEMBL7013516 0.80 GAA (0.43) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL7011778 0.77 KEAP1 (0.35) KEAP1CRBNNFE2L2ALDH1A1KMT2A
SCHEMBL7506761 0.75 KEAP1 (0.43) KEAP1TAS2R14ALDH1A1KMT2AMEN1
SCHEMBL8377311 0.75 KDM4E (0.44) KEAP1NFE2L2ALDH1A1KMT2AMEN1
SCHEMBL27412251 0.75 KEAP1 (0.44) KEAP1NFE2L2ALDH1A1KMT2AMEN1
SCHEMBL6648524 0.73 DGAT1 (0.36) ALDH1A1MAPTKDM4E
SCHEMBL8946849 0.72 KEAP1 (0.35) KEAP1NFE2L2ALDH1A1MAPTKDM4E
SCHEMBL22954479 0.71 CES2 (0.41) KEAP1NFE2L2TAS2R14ALDH1A1KMT2A

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