SCHEMBL6034873

SCHEMBL6034873

COc1ccc(-n2c(SN(N)C(C)=O)nc3scc(-c4ccccc4)c3c2=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 17/20 0.68
MAPK1 P28482 1/20 0.52
GRM1 Q13255 1/20 0.47
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL6034240 0.86 TGM2 (0.68) TGM2
SCHEMBL6034054 0.84 TGM2 (0.66) TGM2
SCHEMBL6034879 0.81 TGM2 (1.00) TGM2
SCHEMBL6037627 0.79 TGM2 (0.76) TGM2MAPK1
SCHEMBL6034346 0.78 MAPK1 (0.63) TGM2MAPK1GRM1KDM4ETSHR
SCHEMBL6033982 0.74 TGM2 (0.64) TGM2MAPK1KDM4ETSHR
SCHEMBL6033372 0.73 TGM2 (0.60) TGM2KDM4E
SCHEMBL6033358 0.72 TGM2 (0.53) TGM2MAPK1
SCHEMBL6037620 0.72 TGM2 (1.00) TGM2
SCHEMBL6033420 0.70 TGM2 (0.70) TGM2MAPK1KDM4ETSHR

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-2006060702-A1 SUBSTITUED 3,4-DIHYDROTHIENO [2,3-D] PYRMIDINES AS TISSUE TRANSGLUTAMINASE INHIBITORS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-06-08 WO disclosed