SCHEMBL6034240

SCHEMBL6034240

COc1ccccc1-n1c(SN(N)C(C)=O)nc2scc(-c3ccccc3)c2c1=O

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 16/20 0.68
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6034427 0.87 TGM2 (0.65) TGM2ALDH1A1HTTMAPTLMNA
SCHEMBL6034873 0.86 TGM2 (0.68) TGM2
SCHEMBL6034980 0.82 TGM2 (0.65) TGM2ALDH1A1HTTPOLBMAPT
SCHEMBL6034244 0.81 TGM2 (1.00) TGM2
SCHEMBL6034054 0.80 TGM2 (0.66) TGM2HTTMAPTLMNA
SCHEMBL6033990 0.78 TGM2 (0.61) TGM2ALDH1A1HTTPOLBMAPT
SCHEMBL6034368 0.75 TGM2 (0.66) TGM2
SCHEMBL6033358 0.69 TGM2 (0.53) TGM2ALDH1A1HTTMAPT
SCHEMBL6033982 0.69 TGM2 (0.64) TGM2ALDH1A1POLBMAPT
SCHEMBL6033372 0.67 TGM2 (0.60) TGM2ALDH1A1POLBMAPT

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