SCHEMBL6419749

SCHEMBL6419749

COc1ccc(C(OCC(O)(CN)C(=O)[C@H](C)N)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 11/20 0.47
▸ KCNH2 Q12809 1/20 0.41
▸ SLC6A1 P30531 2/20 0.41
▸ SLC6A11 P48066 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL6419860 0.81 ATM (0.47) KIF11
SCHEMBL31404235 0.75 KIF11 (0.50) KIF11KCNH2SLC6A1SLC6A11
SCHEMBL12151786 0.74 SLC6A11 (0.46) KIF11KCNH2SLC6A1SLC6A11KMT2A
SCHEMBL20799447 0.74 ALDH1A1 (0.50) KIF11SLC6A1SLC6A11
SCHEMBL1895560 0.73 SLC6A11 (0.51) KIF11KCNH2SLC6A1SLC6A11KMT2A
SCHEMBL13388489 0.72 KIF11 (0.50) KIF11KCNH2SLC6A1SLC6A11
SCHEMBL6707492 0.72 SLC6A1 (0.49) KIF11KCNH2SLC6A1SLC6A11KMT2A
SCHEMBL26626984 0.72 SLC6A1 (0.49) KIF11KCNH2SLC6A1SLC6A11KMT2A
SCHEMBL17423858 0.72 KIF11 (0.50) KIF11KCNH2SLC6A1SLC6A11KMT2A
SCHEMBL20371097 0.72 KIF11 (0.50) KIF11KCNH2SLC6A1SLC6A11KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165569-B1 BORONIC ACID CONTAINING REAGENTS AND OLIGONUCLEOTIDES AGILENT TECHNOLOGIES INC (US) 2005-08-10 — — EP disclosed
EP-1165569-A1 BORONIC ACID CONTAINING REAGENTS AND OLIGONUCLEOTIDES Agilent Technologies, Inc. (US) 2002-01-02 — — EP disclosed
WO-2000056740-A1 BORONIC ACID CONTAINING REAGENTS AND OLIGONUCLEOTIDES PROLINX, INC. (US) 2000-09-28 — — WO disclosed
US-6031117-A Boronic acid containing phosphoramidite reagents PROLINX INCORPORATED (US) 2000-02-29 — — US disclosed
US-6013783-A Boronic acid containing oligonucleotides and polynucleotides PROLINX INCORPORATED (US) 2000-01-11 — — US disclosed
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