SCHEMBL4232008

SCHEMBL4232008

CCOc1cc(CN2CCC(N(c3nc(OC)c4cc(OC)c(OC)cc4n3)N(c3nc(OC)c4cc(OC)c(OC)cc4n3)C3CCNCC3)CC2)cc(OCC)c1F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.44
SSTR5 P35346 7/20 0.41
NSD2 O96028 2/20 0.40
EHMT2 Q96KQ7 5/20 0.37
KCNH2 Q12809 1/20 0.37
KDM1A O60341 3/20 0.36
RCOR1 Q9UKL0 3/20 0.36
TLR9 Q9NR96 3/20 0.36
TLR7 Q9NYK1 3/20 0.36

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
SCHEMBL4381976 0.91 SLC2A1 (0.44) SLC2A1SSTR5NSD2EHMT2KDM1A
SCHEMBL4237976 0.88 SLC2A1 (0.46) SLC2A1SSTR5NSD2EHMT2KDM1A
SCHEMBL4232220 0.81 SSTR5 (0.46) SSTR5KCNH2
SCHEMBL4232006 0.81 SLC2A1 (0.41) SLC2A1SSTR5NSD2EHMT2KCNH2
SCHEMBL3772048 0.78 SSTR5 (0.54) SSTR5NSD2EHMT2KCNH2KDM1A
SCHEMBL4232013 0.78 SLC2A1 (0.42) SLC2A1SSTR5NSD2EHMT2KCNH2
Hydrochloric Acid SCHEMBL4235376 0.76 SSTR5 (0.42) SSTR5KCNH2
SCHEMBL4381970 0.73 SSTR5 (0.43) SLC2A1SSTR5NSD2EHMT2KDM1A
SCHEMBL4237973 0.73 SSTR5 (0.43) SSTR5KCNH2
SCHEMBL4234952 0.72 EHMT2 (0.51) SSTR5NSD2EHMT2KCNH2KDM1A

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
EP-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed