SCHEMBL7542359

SCHEMBL7542359

NC(=O)Nc1cc(F)c(F)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 14/20 0.48
GRIK1 P39086 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ACLY P53396 1/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
KIF11 P52732 1/20 0.42
PTPN1 P18031 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
SCHEMBL8529466 0.81 KDM4E (0.54) STING1GRIK1MEN1MAPTPKM
SCHEMBL7988850 0.81 PTPN1 (0.59) STING1PTPN1
SCHEMBL23577416 0.80 KDM4E (0.50) MAPTKMT2AKIF11
SCHEMBL17627488 0.80 CTSV (0.42) STING1MAPTTDP1ACLYCTSV
SCHEMBL13831 0.79 KIF11 (0.51) MEN1MAPTKMT2AKIF11
SCHEMBL30682783 0.79 KIF11 (0.51) MEN1MAPTKMT2AKIF11
SCHEMBL7541890 0.78 KEAP1 (0.55) MAPTKIF11PTPN1
SCHEMBL8691883 0.77 STING1 (0.42) STING1GRIK1MEN1MAPTPKM
SCHEMBL6796364 0.74 CTSV (0.48) STING1MAPTCTSVCTSL
SCHEMBL14855624 0.74 L3MBTL1 (0.55) STING1GRIK1MEN1MAPTPKM

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
WO-2002039987-A2 USE OF MALARIA PARASITE ANION CHANNEL BLOCKERS FOR TREATING MALARIA NEUROSEARCH A/S (DK) 2002-05-23 WO claimed