SCHEMBL6217166

SCHEMBL6217166

CC(=O)Oc1cc(OCc2ccccc2)nn1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.55
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAOB P27338 3/20 0.42
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
GRM5 P41594 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MDM2 Q00987 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
SRD5A2 P31213 1/20 0.39
BRD4 O60885 1/20 0.39
ACACB O00763 1/20 0.39
BCL2 P10415 1/20 0.39

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
SCHEMBL17473560 0.79 PKM (0.58) PKMPTPN1MEN1KMT2AKDM5A
SCHEMBL17473535 0.77 MEN1 (0.57) PKMALDH1A1MEN1KMT2AKDM5A
SCHEMBL6035501 0.77 PKM (0.56) PKMMEN1KMT2ANPC1RAB9A
SCHEMBL4509093 0.76 PKM (0.55) PKMALDH1A1MEN1KMT2ANPC1
SCHEMBL13860622 0.75 PKM (0.60) PKMMAOBGRM5NPC1RAB9A
SCHEMBL28015293 0.75 PKM (0.48) PKMALDH1A1MEN1KMT2ANPC1
SCHEMBL6035812 0.74 PKM (0.56) PKMALDH1A1MEN1KMT2AMAOB
SCHEMBL26353196 0.74 PKM (0.59) PKMMEN1KMT2AMAOBGRM5
SCHEMBL6035428 0.74 PKM (0.52) PKMALDH1A1MEN1KMT2ASRD5A2
SCHEMBL6035432 0.74 PKM (0.52) PKMALDH1A1MEN1KMT2ASRD5A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 WO disclosed