SCHEMBL11484396

SCHEMBL11484396

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

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 0.65
POLB P06746 2/20 0.55
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 1/20 0.54
PKM P14618 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL11486729 0.83 ALDH1A1 (0.77) VCAM1POLBALDH1A1MEN1PKM
SCHEMBL11493058 0.81 MAPT (0.55) POLBALDH1A1MEN1PKMKMT2A
SCHEMBL939122 0.80 POLB (0.63) VCAM1POLBALDH1A1MEN1KMT2A
SCHEMBL5471880 0.79 VCAM1 (1.00) VCAM1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL899409 0.77 TDP1 (0.58) POLBALDH1A1MEN1PKMKMT2A
SCHEMBL9517669 0.77 MAPT (0.52) VCAM1POLBALDH1A1MEN1PKM
SCHEMBL22116211 0.77 ALDH1A1 (0.76) VCAM1POLBALDH1A1KMT2ASMN1; SMN2
SCHEMBL5461567 0.76 ALDH1A1 (0.65) VCAM1POLBALDH1A1SMN1; SMN2LMNA
SCHEMBL4900235 0.76 SERPINE1 (0.64) POLBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11640314 0.75 VCAM1 (0.57) VCAM1POLBALDH1A1MEN1PKM

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-4185018-A Process for producing benzofurazan-1-oxides CIBA-GEIGY CORPORATION (US) 1980-01-22 US disclosed