SCHEMBL4783250

SCHEMBL4783250

O=C(C(=O)c1cc(Cl)c2c(c1)CCO2)c1ccc(F)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.39
PARP1 P09874 2/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
MAP2K1 Q02750 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ABCC9 O60706 3/20 0.33
ABCC8 Q09428 3/20 0.33
KCNJ11 Q14654 3/20 0.33
KCNJ8 Q15842 3/20 0.33
PGR P06401 1/20 0.33
HDAC4 P56524 1/20 0.33
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CXCR2 P25025 1/20 0.32
GPR183 P32249 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
SCHEMBL4733998 0.83 MAOB (0.38) MAOBPARP1CES2CES1NPC1
SCHEMBL4783710 0.81 MAOB (0.51) MAOBCES2CES1NPC1RAB9A
SCHEMBL4784686 0.73 CTNNB1 (0.54) MAOBCES2CES1NPC1RAB9A
SCHEMBL14758337 0.69 MAPT (0.36) PARP1MAP2K1PGRMAPTNPSR1
SCHEMBL21231355 0.68 PTGS1 (0.37) PARP1
SCHEMBL16742098 0.67 TTR (0.46) PARP1MAPTNPSR1RXFP1
SCHEMBL3170407 0.67 CES2 (0.64) CES2CES1NPC1RAB9AMAPT
SCHEMBL4784600 0.66 IDO1 (0.57) CES2CES1RAB9APGR
SCHEMBL13263896 0.66 CES2 (0.53) MAOBCES2CES1NPC1RAB9A
SCHEMBL4737812 0.66 PKM (0.43) MAOBCES2CES1NPC1RAB9A

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