SCHEMBL14248142

SCHEMBL14248142

CCC(Oc1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)cc2c1=O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 1/20 0.41
FOXO1 Q12778 1/20 0.40
CYP1A2 P05177 1/20 0.36
TOP2A P11388 1/20 0.36
CYP2C9 P11712 1/20 0.36
TOP2B Q02880 1/20 0.36
GSK3B P49841 1/20 0.35
PIK3CG P48736 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL14248140 1.00 MEN1 (0.49) MEN1GAAKMT2AKDM4EALDH1A1
SCHEMBL14248570 0.92 MEN1 (0.51) MEN1GAAKMT2AKDM4EALDH1A1
SCHEMBL14248432 0.91 MEN1 (0.48) MEN1GAAKMT2AKDM4EALDH1A1
SCHEMBL261310 0.89 MEN1 (0.44) MEN1GAAKMT2AKDM4EFOXO1
SCHEMBL261692 0.89 MEN1 (0.48) MEN1GAAKMT2AKDM4EALDH1A1
SCHEMBL14248150 0.89 MEN1 (0.48) MEN1GAAKMT2AKDM4EALDH1A1
SCHEMBL262926 0.87 MEN1 (0.49) MEN1GAAKMT2AKDM4EALDH1A1
SCHEMBL14248445 0.86 MEN1 (0.46) MEN1GAAKMT2AKDM4EALDH1A1
SCHEMBL14248448 0.86 MEN1 (0.46) MEN1GAAKMT2AKDM4EALDH1A1
SCHEMBL14247997 0.85 MEN1 (0.49) MEN1GAAKMT2AKDM4EALDH1A1

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-2012174013-A2 TREATMENT OF CARDIOVASCULAR DISEASE, STROKE, AND INFLAMMATORY CONDITIONS CARDEUS PHARMACEUTICALS, INC. (US) 2012-12-20 WO disclosed