SCHEMBL6033358

SCHEMBL6033358

CC(=O)N(N)N(C)c1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 15/20 0.53
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
PPARG P37231 1/20 0.45
OPRK1 P41145 1/20 0.45
RAB9A P51151 1/20 0.45
NCOA1 Q15788 1/20 0.45
APOBEC3G Q9HC16 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
SCHEMBL6033362 0.79 TGM2 (0.66) TGM2ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL6033943 0.77 TGM2 (0.52) TGM2ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL6033985 0.75 TGM2 (0.59) TGM2ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL6034980 0.74 TGM2 (0.65) TGM2ALDH1A1MAPK1HSD17B10HTT
SCHEMBL6034875 0.73 TGM2 (0.56) TGM2ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL6033952 0.73 TGM2 (0.56) TGM2ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL6034054 0.72 TGM2 (0.66) TGM2HTTMAPT
SCHEMBL6034873 0.72 TGM2 (0.68) TGM2MAPK1
SCHEMBL26376920 0.71 TGM2 (0.80) TGM2ALDH1A1MAPK1HSD17B10HTT
SCHEMBL6034427 0.70 TGM2 (0.65) TGM2ALDH1A1ALOX15MAPK1HSD17B10

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