SCHEMBL4332285

SCHEMBL4332285

O=C(O[N+](=O)[O-])c1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
AR P10275 1/20 0.42
CTNNB1 P35222 2/20 0.41
WNT3A P56704 2/20 0.41
CNR2 P34972 2/20 0.40
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
ADORA3 P0DMS8 3/20 0.39
MAPT P10636 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
TSHR P16473 2/20 0.39
NFKB1 P19838 2/20 0.39
CACNA1C Q13936 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2865396 0.82 TSHR (0.43) LMNACYP3A4TSHRKMT2ATDP1
SCHEMBL1405144 0.78 LMNA (0.58) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL10519876 0.78 LMNA (0.58) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL27570825 0.77 LMNA (0.56) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL11074677 0.77 LMNA (0.56) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL28254424 0.77 TSHR (0.57) LMNAGAAMAPTTSHRKMT2A
SCHEMBL4027098 0.75 ALDH1A1 (0.54) GAACYP3A4MAPTCYP2C9CYP2C19
SCHEMBL513905 0.75 LMNA (0.55) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL45490 0.75 LMNA (0.59) LMNAGAAMAPTTSHRKMT2A
SCHEMBL28284599 0.75 LMNA (0.55) LMNAGAACTNNB1WNT3ACNR2

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-2009071519-A9 OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-12-03 WO disclosed