SCHEMBL7706993

SCHEMBL7706993

COc1c(Cl)cc(F)c(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c1NC(=O)c1ccc(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.37
DHODH Q02127 7/20 0.35
PDE4B Q07343 2/20 0.35
SCN8A Q9UQD0 2/20 0.35
SCN10A Q9Y5Y9 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7636705 0.85 PTGES (0.33) PTGESALDH1A1MAPTLMNA
SCHEMBL7565226 0.82 NPC1 (0.38) PTGESALDH1A1LMNA
SCHEMBL5391301 0.75 BCAT2 (0.32)
SCHEMBL7657861 0.73 BCAT2 (0.32)
SCHEMBL7668209 0.73 BCAT2 (0.32)
SCHEMBL7559209 0.72 GRIN2D (0.38) MEN1KMT2A
SCHEMBL8682441 0.72
SCHEMBL8183188 0.69 GRM4 (0.36)
SCHEMBL9430544 0.69 NOTUM (0.31) MAPT
SCHEMBL8177117 0.69

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
US-6355799-B1 PREEMERGENT HERBICIDE FOR CEREAL CROP FIELDS, DEFOLIANT FOR POTATO AND COTTON PLANTS ISK AMERICAS INCORPORATED 2002-03-12 US disclosed