SCHEMBL6589744

SCHEMBL6589744

CCc1cn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)nc1-c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
RAB9A P51151 5/20 0.42
TSHR P16473 4/20 0.42
NPC1 O15118 4/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.40
POLB P06746 2/20 0.40
PPARA Q07869 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
KCNH2 Q12809 2/20 0.40
SCN9A Q15858 2/20 0.40
CYP19A1 P11511 3/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.38

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
SCHEMBL5372403 0.91 MAPT (0.42) MAPTRAB9ATSHRNPC1MAPK1
SCHEMBL5376645 0.89 RAB9A (0.45) MAPTRAB9ATSHRNPC1MAPK1
SCHEMBL5383106 0.89 FFAR1 (0.47) MAPTRAB9ATSHRNPC1MAPK1
SCHEMBL5377119 0.88 ALDH1A1 (0.45) MAPTRAB9ATSHRNPC1MAPK1
SCHEMBL7540595 0.88 RAB9A (0.43) MAPTRAB9ATSHRNPC1MAPK1
SCHEMBL7571506 0.88 KCNH2 (0.45) MAPTRAB9ATSHRNPC1MAPK1
SCHEMBL5377121 0.87 ALDH1A1 (0.44) MAPTRAB9ATSHRNPC1MAPK1
SCHEMBL5379428 0.87 RAB9A (0.46) MAPTRAB9ATSHRNPC1MAPK1
SCHEMBL5376626 0.87 ALDH1A1 (0.49) MAPTRAB9ATSHRNPC1MAPK1
SCHEMBL5372050 0.86 RAB9A (0.46) MAPTRAB9ATSHRNPC1MAPK1

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-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed