SCHEMBL6902875

SCHEMBL6902875

CC(C)(C)OC(=O)N1CCN(Sc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
ALDH1A1 P00352 4/20 0.67
LMNA P02545 2/20 0.67
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.45
GPR119 Q8TDV5 1/20 0.43
HPGD P15428 2/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
STS P08842 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL34472829 0.82 ALDH1A1 (0.58) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL6900242 0.82 NR1H2 (0.49) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL1865727 0.81 ALDH1A1 (0.62) MAPTALDH1A1LMNAGPR119
SCHEMBL111070 0.81 ALDH1A1 (0.72) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL392783 0.81 ALDH1A1 (0.72) MAPTALDH1A1LMNA
SCHEMBL594206 0.81 MAPT (1.00) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL5724167 0.80 ALDH1A1 (0.67) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL29945069 0.79 ALDH1A1 (0.69) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL27030901 0.79 MAPT (0.69) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL21279861 0.78 MAPT (0.52) MAPTALDH1A1LMNASMN1; SMN2KMT2A

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-2011060321-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2011-05-19 WO disclosed