SCHEMBL5534845

SCHEMBL5534845

N#CN(C#N)c1ncccn1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CLK4 Q9HAZ1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5534796 0.67 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2
SCHEMBL14236964 0.65
SCHEMBL2541201 0.63
SCHEMBL28061488 0.63 CLK4 (0.38) HDAC8HSP90AA1CLK4KDM4EALDH1A1
SCHEMBL151679 0.63
Hydrochloric Acid SCHEMBL7414247 0.61
SCHEMBL21670004 0.61
SCHEMBL30827004 0.61
Methane SCHEMBL29080696 0.59 CLK4 (0.35) HDAC8HSP90AA1CLK4ALDH1A1
SCHEMBL161918 0.58

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
WO-2007126262-A1 ANION RECEPTOR, AND ELECTROLYTE USING THE SAME KYUNGWON ENTERPRISE CO., LTD. (KR) 2007-11-08 WO claimed
WO-2007126262-A1 ANION RECEPTOR, AND ELECTROLYTE USING THE SAME KYUNGWON ENTERPRISE CO., LTD. (KR) 2007-11-08 WO disclosed