SCHEMBL6596244

SCHEMBL6596244

O=C(O)C=Cc1cnn(Cc2ccccc2)c1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
PKM P14618 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ATM Q13315 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
PTGS1 P23219 1/20 0.45
MDM2 Q00987 1/20 0.44
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
CYP19A1 P11511 1/20 0.41
TSHR P16473 1/20 0.41
PLA2G2A P14555 1/20 0.41
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40

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
SCHEMBL6596242 1.00 GAA (0.57) GAAPKMMEN1KMT2ASMN1; SMN2
SCHEMBL4833619 0.91 GAA (0.49) GAAPKMMEN1KMT2ASMN1; SMN2
SCHEMBL4833608 0.91 GAA (0.49) GAAPKMMEN1KMT2ASMN1; SMN2
SCHEMBL5377216 0.84 CYP19A1 (0.51) GAAKMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL5380556 0.81 SMN1; SMN2 (0.48) GAASMN1; SMN2ATMALDH1A1KDM4E
SCHEMBL4829098 0.79 PTGS1 (0.54) GAAMEN1KMT2ASMN1; SMN2ATM
SCHEMBL4829106 0.79 PTGS1 (0.54) GAAMEN1KMT2ASMN1; SMN2ATM
SCHEMBL6593855 0.78 SMN1; SMN2 (0.48) GAAPKMMEN1KMT2ASMN1; SMN2
SCHEMBL6593864 0.78 SMN1; SMN2 (0.48) GAAPKMMEN1KMT2ASMN1; SMN2
SCHEMBL5377221 0.77 CYP19A1 (0.43) GAASMN1; SMN2ALDH1A1PTGS1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
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