SCHEMBL4784677

SCHEMBL4784677

CN1CC(c2cccc(Br)c2)(c2ccc3c(c2)CCCO3)NC1=S

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 6/20 0.33
WNT3A P56704 6/20 0.33
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
CLK1 P49759 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
RIPK1 Q13546 1/20 0.31
NOTUM Q6P988 1/20 0.31
TRIM24 O15164 1/20 0.30
BRD1 O95696 1/20 0.30
BRPF1 P55201 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
ALOX12 P18054 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5069134 0.85 CTSL (0.34) BACE1NPC1RAB9A
SCHEMBL5136499 0.81 KCNH2 (0.31) BACE1
SCHEMBL4517752 0.80 CNR1 (0.38) CTNNB1WNT3ACTSDBACE1BACE2
SCHEMBL4511507 0.74 BACE1 (0.42) CTSDBACE1BACE2CLK1DYRK1A
SCHEMBL5139355 0.70 BACE1 (0.51) CTNNB1WNT3ACTSDBACE1BACE2
SCHEMBL4526528 0.69 BACE1 (0.64) CTSDBACE1BACE2
SCHEMBL4913957 0.68 CNR1 (0.44) CTSDBACE1BACE2NPC1ALDH1A1
SCHEMBL4785933 0.67 CNR1 (0.38) CTSDBACE1BACE2
SCHEMBL4854354 0.66 LMNA (0.50) CTNNB1WNT3ACLK1DYRK1ADYRK1B
SCHEMBL8185847 0.66 NOTUM (0.47) CTNNB1WNT3ACLK1DYRK1ADYRK1B

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