SCHEMBL27637674

SCHEMBL27637674

CC(C)(C)OC(=O)NC1C[CH]CCC1NC(=O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.51
EHMT2 Q96KQ7 1/20 0.50
F10 P00742 11/20 0.49
PYGL P06737 5/20 0.47
F2 P00734 4/20 0.46
PYGM P11217 4/20 0.45

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
SCHEMBL4083426 0.90 SMYD3 (0.54) SMYD3EHMT2F10PYGLF2
SCHEMBL4095868 0.90 SMYD3 (0.54) SMYD3EHMT2F10PYGLF2
SCHEMBL3338579 0.90 SMYD3 (0.54) SMYD3EHMT2F10PYGLF2
SCHEMBL4095864 0.90 SMYD3 (0.54) SMYD3EHMT2F10PYGLF2
SCHEMBL3335058 0.90 SMYD3 (0.54) SMYD3EHMT2F10PYGLF2
SCHEMBL4083427 0.90 SMYD3 (0.54) SMYD3EHMT2F10PYGLF2
SCHEMBL3335060 0.90 SMYD3 (0.54) SMYD3EHMT2F10PYGLF2
SCHEMBL10476585 0.84 F10 (0.58) SMYD3EHMT2F10PYGLF2
SCHEMBL2712286 0.84 F10 (0.58) SMYD3EHMT2F10PYGLF2
SCHEMBL765256 0.84 SMYD3 (0.48) SMYD3EHMT2F10PYGLF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100545160-C Diamine derivative DAIICHI SEIYAKU CO (JP) 2009-09-30 CN disclosed
CN-1894238-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2007-01-10 CN disclosed
CN-1826333-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-08-30 CN disclosed