SCHEMBL2313477

SCHEMBL2313477

CCOC(=O)Oc1ccc2nc(-c3ccc(Oc4ccccc4C(F)(F)F)cc3)[nH]c2c1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.59
CHEK2 O96017 8/20 0.57
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL2804499 0.88 SCD (0.64) SCDCHEK2
SCHEMBL2321480 0.88 CHEK2 (0.62) SCDCHEK2
SCHEMBL2315701 0.87 SCD (0.56) SCDCHEK2KDM4ENPC1USP2
SCHEMBL2316411 0.86 CHEK2 (0.64) CHEK2KDM4ENPC1USP2ALDH1A1
SCHEMBL2321367 0.82 SCD (0.56) SCDCHEK2
SCHEMBL2321478 0.82 CHEK2 (0.72) SCDCHEK2
SCHEMBL3651930 0.80 SCD (0.62) SCDCHEK2
SCHEMBL2321381 0.80 SCD (0.55) SCDCHEK2
SCHEMBL2315450 0.79 SCD (0.81) SCDCHEK2
SCHEMBL2318557 0.78 SCD (0.81) SCDCHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183222-B1 AZOLORAINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS, AND THE USE THEREOF SANOFI SA (FR) 2011-08-03 EP disclosed
EP-2183222-A2 AZOLORAINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS, AND THE USE THEREOF Sanofi-Aventis (FR) 2010-05-12 EP disclosed
WO-2009024287-A2 AZOLORAINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS (FR) 2009-02-26 WO disclosed