SCHEMBL23111133

SCHEMBL23111133

O=C1NC[C@H](c2ccc(F)c(F)c2)N1C(=O)Nc1cccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
TP53 P04637 1/20 0.39
PLA2G7 Q13093 2/20 0.36
AKT1 P31749 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
P2RX7 Q99572 1/20 0.33
CASP3 P42574 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA5 P08648 1/20 0.33

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
SCHEMBL29662055 1.00 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2TP53PLA2G7
SCHEMBL18447603 1.00 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2TP53PLA2G7
SCHEMBL18447671 0.87 TP53 (0.41) TAS1R3TAS1R1TAS1R2TP53PLA2G7
SCHEMBL29662108 0.87 TP53 (0.41) TAS1R3TAS1R1TAS1R2TP53PLA2G7
SCHEMBL23111134 0.78 HTT (0.39) TAS1R3TAS1R1TAS1R2TP53KDM4E
SCHEMBL18447372 0.74 USP30 (0.37) TAS1R3TAS1R1TAS1R2TP53KDM4E
SCHEMBL29662048 0.74 USP30 (0.37) TAS1R3TAS1R1TAS1R2TP53KDM4E
SCHEMBL18448057 0.74 KDM4E (0.42) TAS1R3TAS1R1TAS1R2TP53KDM4E
SCHEMBL29661992 0.74 KDM4E (0.42) TAS1R3TAS1R1TAS1R2TP53KDM4E
SCHEMBL16799800 0.73 TP53 (0.41) TP53PLA2G7LMNAKDM1A

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
EP-3328836-B1 CYCLIC N-CARBOXAMIDE COMPOUNDS USEFUL AS HERBICIDES FMC CORP (US) 2021-03-24 EP disclosed