SCHEMBL8633174

SCHEMBL8633174

COc1ccc(C(OCCC(O)CN)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.48
SLC6A11 P48066 4/20 0.47
SLC6A1 P30531 2/20 0.47
KCNH2 Q12809 1/20 0.46
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A12 P48065 1/20 0.41
SLC6A13 Q9NSD5 1/20 0.41

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
SCHEMBL3690284 0.91 KIF11 (0.50) KIF11SLC6A11SLC6A1KCNH2MEN1
SCHEMBL4924705 0.89 KIF11 (0.59) KIF11SLC6A1KCNH2
SCHEMBL4931427 0.89 KIF11 (0.59) KIF11SLC6A1KCNH2
SCHEMBL4924692 0.89 KIF11 (0.59) KIF11SLC6A1KCNH2
SCHEMBL3689536 0.86 KIF11 (0.50) KIF11SLC6A11SLC6A1KCNH2
SCHEMBL3700947 0.86 KIF11 (0.50) KIF11SLC6A11SLC6A1KCNH2
SCHEMBL27081312 0.86 KIF11 (0.50) KIF11KCNH2MEN1KMT2A
SCHEMBL16472146 0.86 KIF11 (0.50) KIF11KCNH2MEN1KMT2A
SCHEMBL3695302 0.85 SLC6A11 (0.48) KIF11SLC6A11SLC6A1MEN1TP53
SCHEMBL5604514 0.85 SLC6A11 (0.49) KIF11SLC6A11SLC6A1KCNH2MEN1

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
EP-0684954-B1 NUCLEIC ACID PROBES CHEMICALLY 5'(OH)- AND/OR 3'(OH)-MODIFIED FOR INSERTING ONE OR MORE NON-RADIOACTIVE LABELING ELEMENTS THEREAT, AND METHOD FOR PREPARING SAME WALLONE REGION (BE) 1998-07-22 EP disclosed