SCHEMBL2298630

SCHEMBL2298630

CC(I)c1[c]ccc([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 4/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ACHE P22303 2/20 0.38
CYP3A4 P08684 2/20 0.37
HSP90AA1 P07900 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 2/20 0.35
HTT P42858 1/20 0.35
PTPRC P08575 1/20 0.34
S100A4 P26447 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL4390254 0.86 TSHR (0.42) TSHRLMNAALDH1A1TDP1MEN1
SCHEMBL10914346 0.83 TSHR (0.39) TSHRLMNAALDH1A1TDP1MEN1
SCHEMBL10914343 0.83 TSHR (0.39) TSHRLMNAALDH1A1TDP1MEN1
SCHEMBL5742335 0.80 LMNA (0.40) TSHRLMNAALDH1A1TDP1ACHE
SCHEMBL28850127 0.79 TSHR (0.42) TSHRLMNAALDH1A1TDP1ACHE
SCHEMBL5486291 0.75 ALDH1A1 (0.39) LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL455697 0.72 ALDH1A1 (0.50) TSHRLMNAALDH1A1TDP1ACHE
SCHEMBL1473759 0.72 ALDH1A1 (0.47) TSHRLMNAALDH1A1TDP1ACHE
SCHEMBL10383515 0.72 TSHR (0.46) TSHRLMNAALDH1A1TDP1MEN1
SCHEMBL4527774 0.71 CYP19A1 (0.43) TSHRLMNAALDH1A1TDP1MEN1

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-2011101245-A1 NITRIC OXIDE RELEASING COMPOUNDS FOR THE TREATMENT OF NEUROPATHIC PAIN NICOX S.A. (FR) 2011-08-25 WO disclosed