SCHEMBL551426

SCHEMBL551426

CC(C)C(=O)Nc1ccc(N2CCCC3(CCN(C4CCC(O)CC4)C3=O)C2)c(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
RECQL P46063 1/20 0.42
PDE7A Q13946 1/20 0.39
ALDH1A1 P00352 9/20 0.38
KMT2A Q03164 6/20 0.38
MAPT P10636 5/20 0.38
MEN1 O00255 5/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.38
NPSR1 Q6W5P4 3/20 0.37
NPY2R P49146 3/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GLA P06280 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34

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
SCHEMBL2700347 1.00 KDM4E (0.42) KDM4ERECQLPDE7AALDH1A1KMT2A
SCHEMBL551017 1.00 KDM4E (0.42) KDM4ERECQLPDE7AALDH1A1KMT2A
SCHEMBL551018 1.00 KDM4E (0.42) KDM4ERECQLPDE7AALDH1A1KMT2A
SCHEMBL2700344 1.00 KDM4E (0.42) KDM4ERECQLPDE7AALDH1A1KMT2A
SCHEMBL551425 1.00 KDM4E (0.42) KDM4ERECQLPDE7AALDH1A1KMT2A
SCHEMBL551435 0.91 PDE7A (0.41) KDM4EPDE7AALDH1A1KMT2AMAPT
SCHEMBL2697828 0.91 PDE7A (0.41) KDM4EPDE7AALDH1A1KMT2AMAPT
SCHEMBL2697830 0.91 PDE7A (0.41) KDM4EPDE7AALDH1A1KMT2AMAPT
SCHEMBL550091 0.91 PDE7A (0.41) KDM4EPDE7AALDH1A1KMT2AMAPT
SCHEMBL551434 0.91 PDE7A (0.41) KDM4EPDE7AALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US claimed