SCHEMBL9745145

SCHEMBL9745145

C=CCNc1cc(F)ccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.45
CLCN2 P51788 1/20 0.43
GRIK1 P39086 3/20 0.43
LMNA P02545 1/20 0.41
KEAP1 Q14145 1/20 0.41
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
CISD1 Q9NZ45 1/20 0.37
POLB P06746 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37

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
SCHEMBL27711185 0.84 GAA (0.47) HCAR3LMNAALDH1A1GAAMAPT
SCHEMBL20529722 0.83 HCAR3 (0.59) HCAR3LMNAALDH1A1GAAMAPT
SCHEMBL13921285 0.79 CLCN2 (0.49) HCAR3CLCN2GRIK1KEAP1ALDH1A1
SCHEMBL9744548 0.79 CLCN2 (0.46) CLCN2GRIK1KEAP1ALDH1A1GAA
SCHEMBL19689691 0.78 KMT2A (0.49) CLCN2GRIK1KEAP1ALDH1A1GAA
SCHEMBL587283 0.77 ALDH1A1 (0.57) HCAR3CLCN2ALDH1A1MAPTHPGD
SCHEMBL29915668 0.77 ALDH1A1 (0.57) HCAR3CLCN2ALDH1A1MAPTHPGD
SCHEMBL3638353 0.75 KDM4C (0.44) CLCN2GRIK1KEAP1ALDH1A1GAA
SCHEMBL1147582 0.75 KDM4C (0.56) ALDH1A1GAAMAPTHPGDKDM4E
SCHEMBL15638826 0.74 GRIK1 (0.46) CLCN2GRIK1KEAP1ALDH1A1GAA

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
US-5093364-A 5-FLUOROANTHRANILIC FUNGICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-03-03 US disclosed
EP-0360417-A2 Derivatives of 4-fluoroanthranilic acid and their use as fungicides SCHERING AGROCHEMICALS LIMITED (GB) 1990-03-28 EP disclosed