SCHEMBL14248448

SCHEMBL14248448

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
FOXO1 Q12778 1/20 0.37
GSK3B P49841 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.35
TOP2A P11388 1/20 0.35
CYP2C9 P11712 1/20 0.35
TOP2B Q02880 1/20 0.35
PIK3CG P48736 4/20 0.34
PIK3CD O00329 3/20 0.34
PIK3R1 P27986 3/20 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
SCHEMBL14248445 1.00 MEN1 (0.46) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL14248764 0.92 MEN1 (0.47) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL14248150 0.92 MEN1 (0.48) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL261692 0.92 MEN1 (0.48) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL14248682 0.89 MEN1 (0.47) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL266982 0.87 MEN1 (0.46) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL14248140 0.86 MEN1 (0.49) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL14248142 0.86 MEN1 (0.49) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL14248443 0.86 MEN1 (0.48) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL14247997 0.84 MEN1 (0.49) MEN1KMT2AGAAKDM4EALDH1A1

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