SCHEMBL9744446

SCHEMBL9744446

COC(=O)Nc1cc(F)ccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 6/20 0.49
CLCN2 P51788 1/20 0.48
HPGD P15428 1/20 0.46
AKR1C3 P42330 3/20 0.44
AKR1C2 P52895 3/20 0.44
ACLY P53396 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 2/20 0.43
KEAP1 Q14145 1/20 0.43
PYGL P06737 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL30227411 0.84 GRIK1 (0.48) GRIK1CLCN2ACLYKEAP1PYGL
SCHEMBL30227212 0.84 GRIK1 (0.48) GRIK1CLCN2ACLYKEAP1PYGL
SCHEMBL7144739 0.83 KDM4E (0.51) GRIK1CLCN2MEN1KMT2AKEAP1
SCHEMBL7848417 0.79 PTPN1 (0.56) GRIK1CLCN2KEAP1NPC1
SCHEMBL3810854 0.79 CLCN2 (0.52) GRIK1CLCN2HPGDAKR1C3AKR1C2
SCHEMBL12798622 0.79 GRIK1 (0.51) GRIK1CLCN2MEN1KMT2AKEAP1
SCHEMBL9744178 0.79 KDM4E (0.68) GRIK1CLCN2MEN1KMT2ANPC1
SCHEMBL2015592 0.77 HTT (0.62) HPGDHTTPKMMAPTNPC1
SCHEMBL9743950 0.77 GRIK1 (0.56) GRIK1CLCN2MEN1KMT2AKEAP1
SCHEMBL11239532 0.76 ABCB1 (0.57) HPGDMEN1KMT2AHTTMAPT

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