SCHEMBL7224291

SCHEMBL7224291

CC(=O)Nc1c(C(C)(C)C)cc([N+](=O)[O-])cc1C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.59
MEN1 O00255 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
GALR3 O60755 1/20 0.59
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 6/20 0.44
LMNA P02545 4/20 0.43
CYP1A2 P05177 1/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
DYRK1A Q13627 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 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
SCHEMBL11686558 0.85 SMN1; SMN2 (0.46) KMT2AMEN1SMN1; SMN2GALR3HTT
SCHEMBL7224067 0.81 ALDH1A1 (0.41) KMT2AMEN1SMN1; SMN2GALR3HTT
SCHEMBL3544173 0.80 SMN1; SMN2 (0.51) KMT2AMEN1SMN1; SMN2GALR3HTT
SCHEMBL31125083 0.80 SMN1; SMN2 (0.51) KMT2AMEN1SMN1; SMN2GALR3HTT
SCHEMBL7219189 0.78 ALDH1A1 (0.45) KMT2AMEN1SMN1; SMN2GALR3HTT
SCHEMBL3597390 0.77 SMN1; SMN2 (0.51) KMT2AMEN1SMN1; SMN2HTTL3MBTL1
SCHEMBL10882422 0.77 SMN1; SMN2 (0.51) KMT2AMEN1SMN1; SMN2HTTALDH1A1
SCHEMBL7224330 0.77 ALDH1A1 (0.72) KMT2AMEN1SMN1; SMN2HTTL3MBTL1
SCHEMBL7223876 0.77 ALDH1A1 (0.52) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL520594 0.76 SMN1; SMN2 (0.54) KMT2AMEN1SMN1; SMN2GALR3HTT

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
US-6521603-B2 Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring MONSANTO TECHNOLOGY LLC 2003-02-18 US claimed