SCHEMBL7022978

SCHEMBL7022978

C[N]S(=O)(=O)C(C)CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SLC7A5 Q01650 1/20 0.32
ANPEP P15144 3/20 0.31
LAP3 P28838 2/20 0.31
ERAP1 Q9NZ08 1/20 0.31

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
SCHEMBL1513087 0.76
SCHEMBL6889643 0.75 TSHR (0.40) ALDH1A1TSHRMAPK1SLC7A5ANPEP
SCHEMBL6720278 0.69 TSHR (0.40) ALDH1A1TSHRMAPK1SLC7A5ANPEP
SCHEMBL19879326 0.69 TSHR (0.40) ALDH1A1TSHRMAPK1SLC7A5ANPEP
SCHEMBL42768 0.67
SCHEMBL223978 0.67 TSHR (0.45) ALDH1A1TSHRMAPK1SLC7A5ANPEP
SCHEMBL6720279 0.67 SLC7A5 (0.40) ALDH1A1TSHRMAPK1SLC7A5ANPEP
SCHEMBL223977 0.67 TSHR (0.38) ALDH1A1TSHRMAPK1SLC7A5ANPEP
SCHEMBL6893519 0.67 TSHR (0.38) ALDH1A1TSHRMAPK1SLC7A5ANPEP
SCHEMBL26212033 0.67 TSHR (0.45) ALDH1A1TSHRMAPK1SLC7A5ANPEP

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
WO-2003106435-A1 FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF SANKYO COMPANY, LIMITED (JP) 2003-12-24 WO disclosed