SCHEMBL6033400

SCHEMBL6033400

CC(=O)N(N)Sc1nc2sc3c(c2c(=O)n1-c1cccc(F)c1)CCNC3

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 8/20 0.69
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
RECQL P46063 1/20 0.44
SIGMAR1 Q99720 6/20 0.43
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL6034967 0.85 TGM2 (0.70) TGM2NPSR1MEN1ALDH1A1KMT2A
SCHEMBL6034350 0.82 TGM2 (0.73) TGM2MEN1ALDH1A1KMT2AMAPT
SCHEMBL6033401 0.82 TGM2 (1.00) TGM2
SCHEMBL6033409 0.80 TGM2 (0.75) TGM2NPSR1MEN1ALDH1A1KMT2A
SCHEMBL6033954 0.75 TGM2 (0.69) TGM2
SCHEMBL6034368 0.75 TGM2 (0.66) TGM2
SCHEMBL6034973 0.74 TGM2 (0.71) TGM2MEN1KMT2A
SCHEMBL6033978 0.71 TGM2 (0.48) TGM2NPSR1MEN1KMT2AMAPT
SCHEMBL6037625 0.69 TGM2 (1.00) TGM2NPSR1MEN1ALDH1A1KMT2A
SCHEMBL4146487 0.69 TGM2 (0.51) TGM2KMT2ASIGMAR1MAPTKDM4E

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