SCHEMBL7491027

SCHEMBL7491027

O=C(O)c1cn(Cc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MCL1 Q07820 2/20 0.46
P2RY14 Q15391 1/20 0.46
GSTP1 P09211 2/20 0.44
NR4A2 P43354 3/20 0.43
S1PR5 Q9H228 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
ALKBH1 Q13686 2/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 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
SCHEMBL5383065 0.89 MEN1 (0.44) MEN1KMT2AP2RY14GSTP1S1PR5
SCHEMBL5382756 0.82 MEN1 (0.43) MEN1KMT2AP2RY14GSTP1TSHR
SCHEMBL5393626 0.81 GSTP1 (0.45) MEN1KMT2AP2RY14GSTP1CYP4F2
SCHEMBL5377296 0.81 PTGER3 (0.51) MEN1KMT2AP2RY14GSTP1
SCHEMBL5377289 0.81 PTGER3 (0.51) MEN1KMT2AP2RY14GSTP1
SCHEMBL7539595 0.79 MAOB (0.47) MEN1KMT2AGSTP1
SCHEMBL5377062 0.78 LTB4R (0.46) MEN1KMT2AP2RY14GSTP1
SCHEMBL5385365 0.78 S1PR5 (0.51) MEN1KMT2AGSTP1S1PR5SMN1; SMN2
SCHEMBL5377058 0.77 BACE1 (0.43) MEN1KMT2AP2RY14
SCHEMBL5382479 0.76 P2RY14 (0.47) MEN1KMT2AP2RY14GSTP1S1PR5

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
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO disclosed