SCHEMBL7600100

SCHEMBL7600100

CCc1c(OC(C)=O)c(-c2ccccc2)nn1CCc1ccc(O)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.36
▸ ACHE P22303 1/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ PREP P48147 2/20 0.36
▸ CELA1 Q9UNI1 1/20 0.36
▸ GFER P55789 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ KDM4E B2RXH2 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
SCHEMBL11611744 0.68 GRN (0.43) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL8890259 0.65 FLT1 (0.48) SMN1; SMN2ALDH1A1PDE4BKDM4E
SCHEMBL23402494 0.65 MEN1 (0.50) ESR1MEN1KMT2AMAPTGAA
SCHEMBL23399460 0.65 KMT2A (0.48) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL7600106 0.65 ADORA3 (0.42) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL3847408 0.64 MET (0.60) MEN1KMT2ASMN1; SMN2PDE4APDE4B
SCHEMBL3849216 0.64 SMN1; SMN2 (0.53) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL23399515 0.63 MEN1 (0.52) ESR1MEN1KMT2AMAPTALDH1A1
SCHEMBL5380585 0.63 KDM4E (0.53) MAPTGAAALDH1A1KDM4E
SCHEMBL7539974 0.63 CYP19A1 (0.46) BACE1GAASMN1; SMN2ALDH1A1

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
Send feedback