SCHEMBL9769695

SCHEMBL9769695

CCN(CC)S(=O)(=O)c1ccc(-n2oc(C(C)(C)C)cc2=O)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 0.51
LMNA P02545 4/20 0.47
MAPK1 P28482 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTT P42858 2/20 0.42
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 7/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 3/20 0.40
ALDH3A1 P30838 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
SCHEMBL9769690 0.88 HTT (0.55) VCAM1LMNAMAPK1SMN1; SMN2HTT
SCHEMBL9585420 0.81 GAA (0.45) LMNAMAPK1SMN1; SMN2TDP1HTT
SCHEMBL9769701 0.80 VCAM1 (0.50) VCAM1LMNAMAPK1SMN1; SMN2TDP1
SCHEMBL10467384 0.76 VCAM1 (0.57) VCAM1LMNAMAPK1SMN1; SMN2TDP1
SCHEMBL9586675 0.75 GAA (0.52) LMNAMAPK1SMN1; SMN2TDP1GAA
SCHEMBL9587792 0.73 HTT (0.55) VCAM1LMNAMAPK1SMN1; SMN2HTT
SCHEMBL13871665 0.73 VCAM1 (0.47) VCAM1LMNAMAPK1SMN1; SMN2TDP1
SCHEMBL9320068 0.72 LMNA (0.42) VCAM1LMNAMAPK1SMN1; SMN2TDP1
SCHEMBL9587192 0.70 KAT2B (0.41) LMNAMAPK1HTTGAAALDH1A1
SCHEMBL9769684 0.69 HTT (0.47) VCAM1LMNAHTTL3MBTL1ALDH1A1

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-5071994-A Intermediates for positive working photographic compounds, analgesics; anti-inflammatory agents FUJI PHOTO FILM CO., LTD. (JP) 1991-12-10 US disclosed