SCHEMBL23111135

SCHEMBL23111135

O=C(Nc1cccc(F)c1F)N1C(=O)N(c2ccccc2)CC1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ITGB3 P05106 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA5 P08648 1/20 0.37
ITGA4 P13612 1/20 0.37
P2RX7 Q99572 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KIF11 P52732 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL28860321 0.83 KDM4E (0.40) KDM4EITGB3ITGB1ITGAVITGA5
SCHEMBL29662057 0.79 MEN1 (0.39) KDM4EITGB3ITGB1ITGAVITGA5
SCHEMBL18446673 0.79 MEN1 (0.39) KDM4EITGB3ITGB1ITGAVITGA5
SCHEMBL28773807 0.79 MEN1 (0.39) KDM4EITGB3ITGB1ITGAVITGA5
SCHEMBL18447671 0.78 TP53 (0.41) KDM4EITGB3ITGB1ITGAVITGA5
SCHEMBL29662108 0.78 TP53 (0.41) KDM4EITGB3ITGB1ITGAVITGA5
SCHEMBL18447372 0.68 USP30 (0.37) KDM4EITGB3ITGB1ITGAVITGA5
SCHEMBL29662048 0.68 USP30 (0.37) KDM4EITGB3ITGB1ITGAVITGA5
SCHEMBL20048487 0.67 ALDH1A1 (0.46) KDM4ENPC1RAB9ATP53ALDH1A1
SCHEMBL23111134 0.67 HTT (0.39) KDM4ETAS1R3TAS1R1TAS1R2RAB9A

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