SCHEMBL19554382

SCHEMBL19554382

Nc1cc(F)c(F)cc1-c1noc(=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.36
ALDH1A1 P00352 1/20 0.35
DHODH Q02127 1/20 0.34
KMO O15229 1/20 0.34
ALOX5 P09917 1/20 0.34
KCNH2 Q12809 1/20 0.33
RARB P10826 1/20 0.33
CTH P32929 1/20 0.33
FTO Q9C0B1 1/20 0.32
ADH5 P11766 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
GRIK1 P39086 1/20 0.32
PARP1 P09874 1/20 0.32

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
SCHEMBL12548095 0.90 TBK1 (0.36) TBK1ALDH1A1DHODHKMOALOX5
SCHEMBL19554684 0.88 GRIK1 (0.34) TBK1ALDH1A1DHODHKMOALOX5
SCHEMBL1947351 0.78 DHODH (0.37) TBK1ALDH1A1DHODHKMOALOX5
SCHEMBL19554929 0.78 AKR1A1 (0.39) TBK1KCNH2SLC6A2SLC6A4
SCHEMBL1948155 0.78 TBK1 (0.37) TBK1ALDH1A1DHODHKMOALOX5
SCHEMBL12548091 0.75 ALDH1A1 (0.37) TBK1ALDH1A1DHODHKMOALOX5
SCHEMBL23165627 0.74 ALDH1A1 (0.46) ALDH1A1KMOALOX5RARBADH5
SCHEMBL29710171 0.74 ALDH1A1 (0.46) ALDH1A1KMOALOX5RARBADH5
SCHEMBL6710242 0.74 IDO1 (0.49) TBK1ALDH1A1KMORARBGRIK1
SCHEMBL6530898 0.72 ALDH1A1 (0.45) TBK1ALDH1A1RARBFTOPARP1

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-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed