SCHEMBL9769701

SCHEMBL9769701

CCN(CC)S(=O)(=O)c1ccc(-n2oc(C(C)(C)C)c(CCl)c2=O)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 6/20 0.50
LMNA P02545 3/20 0.44
MAPK1 P28482 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 7/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
ALDH3A1 P30838 1/20 0.38

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
SCHEMBL9769684 0.90 HTT (0.47) VCAM1LMNAALDH1A1KMT2AMEN1
SCHEMBL9320068 0.84 LMNA (0.42) VCAM1LMNAMAPK1SMN1; SMN2TDP1
SCHEMBL10470481 0.82 HTT (0.35) VCAM1LMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL9769695 0.80 VCAM1 (0.51) VCAM1LMNAMAPK1SMN1; SMN2TDP1
SCHEMBL13871665 0.80 VCAM1 (0.47) VCAM1LMNAMAPK1SMN1; SMN2TDP1
SCHEMBL9769718 0.79 KMT2A (0.43) LMNAKMT2AMEN1
SCHEMBL10468618 0.78 VCAM1 (0.56) VCAM1LMNAMAPK1SMN1; SMN2TDP1
SCHEMBL6932969 0.73 ALDH1A1 (0.55) LMNASMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL5471880 0.68 VCAM1 (1.00) VCAM1LMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL10469420 0.68 VCAM1 (0.34) VCAM1

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