SCHEMBL4784496

SCHEMBL4784496

O=C(C(=O)c1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ccc(F)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
MAOB P27338 3/20 0.41
CTNNB1 P35222 3/20 0.40
WNT3A P56704 3/20 0.40
SMYD3 Q9H7B4 2/20 0.35
IDO1 P14902 2/20 0.35
TDO2 P48775 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
KIF11 P52732 1/20 0.33
PGR P06401 1/20 0.33
LMNA P02545 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 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
SCHEMBL4785756 0.91 CTNNB1 (0.49) CES2CES1MAOBCTNNB1WNT3A
SCHEMBL5503013 0.76 CTNNB1 (0.49) CTNNB1WNT3ASMYD3NPC1RAB9A
SCHEMBL4734952 0.74 MAOB (0.40) CES2CES1MAOBPGR
SCHEMBL5753071 0.74 ALDH1A1 (0.52) CTNNB1WNT3ASMYD3RAB9AKIF11
SCHEMBL2647988 0.73 CTNNB1 (0.55) CTNNB1WNT3ASMYD3
SCHEMBL31085181 0.73 KDM4E (0.49) CTNNB1WNT3ASMYD3NPC1RAB9A
SCHEMBL4784600 0.73 IDO1 (0.57) CES2CES1IDO1TDO2RAB9A
SCHEMBL1907961 0.73 KDM4E (0.49) CTNNB1WNT3ASMYD3NPC1RAB9A
SCHEMBL15104920 0.73 TSHR (0.53) CTNNB1WNT3ASMYD3NPC1RAB9A
SCHEMBL13263896 0.73 CES2 (0.53) CES2CES1MAOBIDO1TDO2

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-2008076044-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed