SCHEMBL4785756

SCHEMBL4785756

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.49
WNT3A P56704 3/20 0.49
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
SMYD3 Q9H7B4 4/20 0.43
MAOB P27338 2/20 0.41
HDAC4 P56524 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
SCN9A Q15858 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NOTUM Q6P988 1/20 0.33
CFTR P13569 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
SCHEMBL4784496 0.91 CES2 (0.43) CTNNB1WNT3ACES2CES1SMYD3
SCHEMBL10407674 0.76 CTNNB1 (0.61) CTNNB1WNT3ASMYD3HDAC4MRGPRX4
SCHEMBL18641648 0.74 CTNNB1 (0.56) CTNNB1WNT3ASMYD3HDAC4MRGPRX4
SCHEMBL4734952 0.74 MAOB (0.40) CES2CES1MAOB
SCHEMBL351400 0.74 CTNNB1 (0.64) CTNNB1WNT3ASMYD3HDAC4MRGPRX4
SCHEMBL3866171 0.74 CTNNB1 (0.59) CTNNB1WNT3ASMYD3HDAC4MRGPRX4
SCHEMBL1257050 0.73 CTNNB1 (0.58) CTNNB1WNT3ASMYD3HDAC4MRGPRX4
SCHEMBL19160022 0.73 CTNNB1 (0.58) CTNNB1WNT3ASMYD3HDAC4MRGPRX4
SCHEMBL1347343 0.73 CTNNB1 (0.58) CTNNB1WNT3ASMYD3HDAC4MRGPRX4
SCHEMBL29540656 0.73 CTNNB1 (0.58) CTNNB1WNT3ASMYD3HDAC4MRGPRX4

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