SCHEMBL5313535

SCHEMBL5313535

CCN(CC)CCCC(CI)(Nc1ccnc2cc(O)ccc12)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 1/20 0.42
NSD1 Q96L73 1/20 0.42
KCNH2 Q12809 5/20 0.41
CYP2D6 P10635 5/20 0.41
CHRM2 P08172 3/20 0.41
CHRM1 P11229 3/20 0.41
ADRA2C P18825 3/20 0.41
CYP2C19 P33261 3/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
CHRM3 P20309 2/20 0.41
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
ACE2 Q9BYF1 2/20 0.41
NQO2 P16083 2/20 0.41
APP P05067 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
SCHEMBL5311668 0.90 KDM4E (0.54) KDM4EHSD17B10MAPTNSD1KCNH2
SCHEMBL5305381 0.87 CACNA2D1 (0.46) KDM4EHSD17B10MAPTNSD1KCNH2
SCHEMBL29510791 0.86 KDM4E (0.44) KDM4EHSD17B10MAPTNSD1KCNH2
SCHEMBL708875 0.86 KDM4E (0.44) KDM4EHSD17B10MAPTNSD1KCNH2
SCHEMBL706212 0.81 CDK1 (0.52) KDM4EHSD17B10MAPTNSD1KCNH2
SCHEMBL29510895 0.75 KDM4E (0.58) KDM4EHSD17B10MAPTNSD1KCNH2
SCHEMBL4745453 0.75 KDM4E (0.43) KDM4EHSD17B10MAPTNSD1KCNH2
SCHEMBL710488 0.75 KDM4E (0.58) KDM4EHSD17B10MAPTNSD1KCNH2
SCHEMBL708741 0.74 CHRM2 (0.56) KDM4EHSD17B10MAPTNSD1KCNH2
SCHEMBL706339 0.74 CDK1 (0.64) KDM4EHSD17B10KCNH2CYP2D6CHRM2

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
WO-2007040469-A2 CHLOROQUINE COUPLED COMPOSITIONS AND METHODS FOR THEIR SYNTHESIS KOSAK KEN M (US) 2007-04-12 WO disclosed