SCHEMBL6829052

SCHEMBL6829052

CC(C)(C)c1[c]ncc([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.41
GALR3 O60755 1/20 0.41
TSHR P16473 5/20 0.39
ALDH1A1 P00352 5/20 0.36
ACHE P22303 1/20 0.35
CYP19A1 P11511 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL11724286 0.76 TSHR (0.39) HTTKMT2AMEN1TSHRALDH1A1
SCHEMBL1636797 0.76 TSHR (0.48) HTTKMT2AMEN1TSHRALDH1A1
SCHEMBL28215177 0.75 HTT (0.52) HTTKMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL1531216 0.73 CYP19A1 (0.38) HTTKMT2AMEN1TSHRALDH1A1
SCHEMBL11730933 0.72 LMNA (0.39) HTTKMT2AMEN1TSHRALDH1A1
SCHEMBL896533 0.72 ALDH1A1 (0.42) HTTKMT2ATSHRALDH1A1CYP19A1
SCHEMBL1036242 0.72 ALDH1A1 (0.37) HTTKMT2ASMN1; SMN2MEN1TSHR
SCHEMBL10967569 0.69 HTT (0.46) HTTKMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL6829475 0.69 TSHR (0.42) HTTKMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL1034794 0.68 PTGS2 (0.39) HTTKMT2AL3MBTL1MEN1ALDH1A1

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-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO disclosed