SCHEMBL1698688

SCHEMBL1698688

Nc1csc(-n2ccnn2)n1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 13/20 0.35
ALDH1A1 P00352 1/20 0.32
KEAP1 Q14145 1/20 0.32
HSD17B10 Q99714 1/20 0.31
MAP3K5 Q99683 1/20 0.30

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
SCHEMBL16325161 0.75 HTR2B (0.38) NOTUM
SCHEMBL3988944 0.67 LMNA (0.39) NOTUMALDH1A1KEAP1HSD17B10
SCHEMBL15905064 0.67 NOTUM (0.41) NOTUMKEAP1MAP3K5
SCHEMBL18708315 0.67 LMNA (0.43) NOTUM
SCHEMBL10120241 0.64 ALDH1A1 (0.51) NOTUMALDH1A1
SCHEMBL15091190 0.63 MAP3K5 (0.51) NOTUMKEAP1MAP3K5
SCHEMBL3787307 0.61 MAPK8 (0.38) NOTUM
SCHEMBL28394131 0.61 PRMT6 (0.35) NOTUMALDH1A1
SCHEMBL14842192 0.61 NOTUM (0.45) NOTUMKEAP1
SCHEMBL14844631 0.61 NOTUM (0.49) NOTUMKEAP1

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-2588475-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
WO-2012003387-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed