SCHEMBL6891571

SCHEMBL6891571

COc1ccc(C(OCCCBr)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.48
KCNH2 Q12809 1/20 0.48
SLC6A11 P48066 4/20 0.46
SLC6A1 P30531 2/20 0.46
HRH4 Q9H3N8 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A12 P48065 1/20 0.40
SLC6A13 Q9NSD5 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
LTA4H P09960 1/20 0.40
CA4 P22748 1/20 0.39
TK2 O00142 1/20 0.39

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
SCHEMBL6522519 0.90 KIF11 (0.49) KIF11KCNH2SLC6A11SLC6A1MEN1
SCHEMBL10022830 0.90 KIF11 (0.49) KIF11KCNH2SLC6A11SLC6A1MEN1
SCHEMBL16197752 0.87 KIF11 (0.50) KIF11KCNH2SLC6A11SLC6A1HRH4
SCHEMBL913478 0.87 KIF11 (0.59) KIF11SLC6A1HRH4TK2
SCHEMBL2837142 0.85 SLC6A11 (0.46) KIF11KCNH2SLC6A11SLC6A1MEN1
SCHEMBL3997667 0.84 KIF11 (0.48) KIF11KCNH2SLC6A11SLC6A1HRH4
SCHEMBL1764229 0.84 SLC6A11 (0.48) KIF11KCNH2SLC6A11SLC6A1MEN1
SCHEMBL334143 0.84 SLC6A11 (0.48) KIF11KCNH2SLC6A11SLC6A1MEN1
SCHEMBL20827845 0.84 KIF11 (0.63) KIF11KCNH2SLC6A11SLC6A1
SCHEMBL4807143 0.84 KIF11 (0.48) KIF11KCNH2SLC6A11SLC6A1HRH4

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-2004050231-A2 (BIO) ORGANIC OLIGOMERS FOR THE PREPARATION OF MACROMOLECULES AARHUS UNIVERSITET (DK) 2004-06-17 WO disclosed