SCHEMBL739574

SCHEMBL739574

CC(C)(C)OC(=O)N1Cc2cnc(C(=O)C3(N)CCCCC3NC(=O)c3cc4cc(Cl)ccc4[nH]3)nc2C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.45
F2 P00734 4/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
CYP51A1 Q16850 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
PYGL P06737 3/20 0.39
PYGM P11217 3/20 0.39
NAMPT P43490 3/20 0.39
CYP2C9 P11712 1/20 0.38

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
SCHEMBL4083313 0.85 F10 (0.54) F10F2
SCHEMBL4093550 0.85 F10 (0.54) F10F2
SCHEMBL743656 0.85 F10 (0.56) F10F2
Hydrochloric Acid SCHEMBL741709 0.82 F10 (0.43) F10F2CYP51A1SMYD3
SCHEMBL740197 0.79 SMYD3 (0.51) CYP51A1SMYD3PYGLPYGM
SCHEMBL743187 0.78 F10 (0.46) F10CYP51A1SMYD3PYGLNAMPT
SCHEMBL741602 0.77 F10 (0.46) F10F2CYP51A1SMYD3PYGL
SCHEMBL4114513 0.77 F10 (0.58) F10F2
SCHEMBL743192 0.75 F10 (0.46) F10F2CYP51A1SMYD3PYGL
SCHEMBL2933877 0.74 F10 (0.53) F10F2SMYD3

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
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
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