SCHEMBL4733998

SCHEMBL4733998

N#Cc1cc(C(=O)C(=O)c2ccc(F)c(Br)c2)cc2c1OCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.38
SLC22A12 Q96S37 3/20 0.36
XDH P47989 1/20 0.36
PARP1 P09874 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ABCC9 O60706 2/20 0.32
ABCC8 Q09428 2/20 0.32
KCNJ11 Q14654 2/20 0.32
KCNJ8 Q15842 2/20 0.32
PGR P06401 1/20 0.32
S1PR3 Q99500 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CXCR2 P25025 1/20 0.31
NOTUM Q6P988 1/20 0.31

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
SCHEMBL4783250 0.83 MAOB (0.39) MAOBPARP1CES2CES1ABCC9
SCHEMBL4783710 0.79 MAOB (0.51) MAOBCES2CES1NPC1RAB9A
SCHEMBL4784686 0.72 CTNNB1 (0.54) MAOBCES2CES1PGRNPC1
SCHEMBL4735516 0.68
SCHEMBL4844028 0.68 ALDH1A1 (0.40) SLC22A12XDHNPC1RAB9AMAPT
SCHEMBL16742098 0.65 TTR (0.46) SLC22A12XDHPARP1MAPTNPSR1
SCHEMBL4784600 0.65 IDO1 (0.57) CES2CES1PGRRAB9A
SCHEMBL10884184 0.65 NPC1 (0.42) MAOBCES2CES1PGRS1PR3
SCHEMBL13263896 0.65 CES2 (0.53) MAOBCES2CES1NPC1RAB9A
SCHEMBL2086107 0.64 HSD11B1 (0.41) PGRS1PR3NPC1RAB9ATDP1

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 4 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
WO-2008076043-A1 NOVEL 2-AMINO-5,5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008076043-A1 NOVEL 2-AMINO-5,5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed