SCHEMBL6034967

SCHEMBL6034967

CC(=O)N(N)Sc1nc2sc3c(c2c(=O)n1-c1cccc(F)c1)CCN(C)C3

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 5/20 0.70
KMT2A Q03164 10/20 0.58
MEN1 O00255 8/20 0.58
KDM4E B2RXH2 6/20 0.58
MAPT P10636 6/20 0.58
ALDH1A1 P00352 5/20 0.58
HPGD P15428 3/20 0.58
TSHR P16473 2/20 0.58
HSD17B10 Q99714 2/20 0.58
GLA P06280 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
CASP1 P29466 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GAA P10253 2/20 0.51

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
SCHEMBL6034350 0.90 TGM2 (0.73) TGM2KMT2AMEN1KDM4EMAPT
SCHEMBL6033400 0.85 TGM2 (0.69) TGM2KMT2AMEN1KDM4EMAPT
SCHEMBL6034970 0.83 TGM2 (1.00) TGM2KMT2AMEN1KDM4EMAPT
SCHEMBL6033436 0.80 KMT2A (0.77) TGM2KMT2AMEN1KDM4EMAPT
SCHEMBL6033954 0.75 TGM2 (0.69) TGM2
SCHEMBL6034368 0.75 TGM2 (0.66) TGM2
SCHEMBL6034353 0.74 TGM2 (1.00) TGM2KMT2AMEN1KDM4EMAPT
SCHEMBL6034973 0.74 TGM2 (0.71) TGM2KMT2AMEN1
SCHEMBL6033396 0.72 TGM2 (0.79) TGM2KMT2AMEN1KDM4EMAPT
SCHEMBL6033978 0.71 TGM2 (0.48) TGM2KMT2AMEN1MAPTNPSR1

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