SCHEMBL5743541

SCHEMBL5743541

CO/C=C(/C(=O)OC)c1ccccc1COc1csc(-c2ccccn2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.39
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
APOBEC3G Q9HC16 1/20 0.36
KLKB1 P03952 2/20 0.35
KLK1 P06870 2/20 0.35
CPT1A P50416 1/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
ADORA3 P0DMS8 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
SCHEMBL5626841 0.91 PDE10A (0.39) PDE10AKDM4EALDH1A1APOBEC3GCPT1A
SCHEMBL5626849 0.91 PDE10A (0.39) PDE10AKDM4EALDH1A1APOBEC3GCPT1A
SCHEMBL7171946 0.82 MAPK1 (0.41) KDM4EALDH1A1HSD17B10HPGDALOX15
SCHEMBL7171950 0.82 MAPK1 (0.41) KDM4EALDH1A1HSD17B10HPGDALOX15
SCHEMBL5742294 0.82 KMT2A (0.48) KDM4EALDH1A1APOBEC3GHSD17B10HPGD
SCHEMBL5745131 0.80 HIF1A (0.36)
SCHEMBL5743543 0.80 PDE10A (0.39) PDE10AKDM4EALDH1A1APOBEC3GKLKB1
SCHEMBL5744005 0.79 KDM4E (0.38) KDM4EALDH1A1APOBEC3GHSD17B10HPGD
SCHEMBL9256030 0.75 GABRA5 (0.39) KDM4E
SCHEMBL12671601 0.75 GABRA5 (0.39) KDM4E

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
EP-1453817-B1 THIAZOLE DERIVATIVES WITH FUNGICIDAL ACTIVITY ISAGRO RICERCA SRL (IT) 2006-04-26 EP claimed