SCHEMBL8192501

SCHEMBL8192501

Fc1ccc(-c2ccc3c(c2)CCCO3)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.47
NOTUM Q6P988 1/20 0.46
DYRK1A Q13627 3/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 2/20 0.43
RIPK1 Q13546 1/20 0.42
CTNNB1 P35222 3/20 0.41
WNT3A P56704 3/20 0.41
CLK1 P49759 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
PARP1 P09874 1/20 0.37
MAOB P27338 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PRKCI P41743 1/20 0.36
CTSK P43235 1/20 0.36
NAAA Q02083 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL8191121 0.82 ERN1 (0.47) ERN1NOTUMDYRK1AMAPTRAB9A
SCHEMBL4737265 0.81 CTNNB1 (0.39) ERN1NOTUMDYRK1AMAPTRAB9A
SCHEMBL4784686 0.79 CTNNB1 (0.54) ERN1DYRK1AMAPTRAB9ANPC1
SCHEMBL19188065 0.78 NOTUM (0.50) ERN1NOTUMDYRK1AMAPTRAB9A
SCHEMBL4354029 0.77 SMN1; SMN2 (0.39) NOTUMDYRK1ARAB9ANPC1CTNNB1
SCHEMBL14576619 0.77 CTNNB1 (0.38) NOTUMDYRK1ACTNNB1WNT3ACLK1
SCHEMBL8185847 0.77 NOTUM (0.47) ERN1NOTUMDYRK1AMAPTRAB9A
SCHEMBL16574214 0.74 NOTUM (0.50) ERN1NOTUMDYRK1AMAPTRAB9A
SCHEMBL21998756 0.74 DYRK1A (0.51) ERN1NOTUMDYRK1AMAPTRAB9A
SCHEMBL27578676 0.74 ERN1 (0.50) ERN1NOTUMDYRK1AMAPTRAB9A

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