SCHEMBL4699362

SCHEMBL4699362

O=C(c1ccc(-c2ccccc2)cc1Cl)C1CCN(c2ncc(O)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MELK Q14680 14/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MGLL Q99685 3/20 0.41
MALT1 Q9UDY8 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
SCHEMBL3814544 0.90 KDM4E (0.52) MEN1KMT2AMALT1
SCHEMBL3832436 0.83 KDM4E (0.47) MEN1KMT2AMALT1
SCHEMBL3576482 0.80 SLC6A7 (0.55) MGLL
SCHEMBL4075764 0.76 ESR2 (0.36) MELKMEN1KMT2A
SCHEMBL3579395 0.74 SLC6A7 (0.55) MEN1KMT2AMALT1
SCHEMBL3812149 0.72 KDM4E (0.54) MEN1KMT2AMGLLMALT1
SCHEMBL4754060 0.71 SLC6A7 (0.67) MEN1KMT2A
SCHEMBL3853233 0.71 SLC6A7 (0.54) MEN1KMT2AMALT1
SCHEMBL3815687 0.70 MALT1 (0.48) MEN1KMT2AMGLLMALT1
SCHEMBL1135093 0.70 SLC6A7 (0.68) MGLLMALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893212-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-03-05 EP disclosed
WO-2006124748-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed