SCHEMBL742116

SCHEMBL742116

COC(=O)C1CCC(N)(C(=O)OC(C)(C)C)C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.47
EHMT2 Q96KQ7 1/20 0.43
PYGL P06737 14/20 0.42
PYGM P11217 10/20 0.42
F10 P00742 2/20 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
SCHEMBL740197 0.85 SMYD3 (0.51) SMYD3EHMT2PYGLPYGM
SCHEMBL3342391 0.78 F10 (0.53) EHMT2F10
SCHEMBL4270766 0.78 F10 (0.53) EHMT2F10
SCHEMBL3342385 0.78 F10 (0.53) EHMT2F10
SCHEMBL4087543 0.78 F10 (0.53) EHMT2F10
SCHEMBL10476602 0.78 F10 (0.53) EHMT2F10
SCHEMBL739706 0.74 KMT2A (0.50) SMYD3PYGL
SCHEMBL12507532 0.74 SMYD3 (0.71) SMYD3EHMT2PYGLPYGM
SCHEMBL741538 0.74 SMYD3 (0.46) SMYD3PYGL
SCHEMBL743763 0.74 SMYD3 (0.46) SMYD3PYGLF10

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-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed