SCHEMBL6033982

SCHEMBL6033982

CC(=O)N(N)Sc1nc2scc(C)c2c(=O)n1-c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 14/20 0.64
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CXCR5 P32302 1/20 0.37
APLNR P35414 1/20 0.37
CCR6 P51684 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6033984 0.78 TGM2 (1.00) TGM2
SCHEMBL6034368 0.76 TGM2 (0.66) TGM2
SCHEMBL6033379 0.76 TGM2 (0.73) TGM2KMT2AMEN1HSD17B10POLB
SCHEMBL6034980 0.76 TGM2 (0.65) TGM2ALDH1A1HSD17B10KDM4EPOLB
SCHEMBL6034873 0.74 TGM2 (0.68) TGM2KDM4ETSHRMAPK1
SCHEMBL6034183 0.74 TGM2 (0.56) TGM2ALDH1A1HSD17B10KDM4EPOLB
SCHEMBL6034054 0.71 TGM2 (0.66) TGM2MAPTNPSR1
SCHEMBL6033946 0.70 TGM2 (0.68) TGM2KMT2AMEN1ALDH1A1
SCHEMBL6034240 0.69 TGM2 (0.68) TGM2ALDH1A1POLBMAPT
SCHEMBL6034427 0.68 TGM2 (0.65) TGM2ALDH1A1HSD17B10MAPTMAPK1

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