SCHEMBL2563189

SCHEMBL2563189

O=C(O)CCCSc1nc2[nH]ccc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.52
PIK3CD O00329 3/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
PIK3CA P42336 1/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
NPC1 O15118 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3003511 0.89 FADS1 (0.51) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2566027 0.88 FADS1 (0.52) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2995367 0.88 FADS1 (0.54) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2565059 0.86 FADS1 (0.54) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2564109 0.86 FADS1 (0.50) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL13242291 0.85 FADS1 (0.49) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2558130 0.85 FADS1 (0.49) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2564047 0.85 FADS1 (0.49) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2560508 0.84 FADS1 (0.51) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL3005589 0.83 FADS1 (0.48) FADS1PIK3CDPIK3CBPIK3CGPIK3CA

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-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed