Sulforaphane

Sulforaphane

SCHEMBL20855320

C[S+]([O-])CCCCN=C=S.C[S+]([O-])CCCCN=C=S.C[S+]([O-])CCCCN=C=S

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.50
TRPA1 O75762 8/20 0.47
MIF P14174 5/20 0.45
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
BACH1 O14867 1/20 0.44
MAFK O60675 1/20 0.44
EGFR P00533 1/20 0.44
PTGS2 P35354 1/20 0.44
GSK3B P49841 1/20 0.42

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
Sulforaphane SCHEMBL17629812 1.00 NAAA (0.50) NAAATRPA1MIFKEAP1NFE2L2
Sulforaphane SCHEMBL105203 1.00 NAAA (0.50) NAAATRPA1MIFKEAP1NFE2L2
Sulforaphane SCHEMBL105202 1.00 NAAA (0.50) NAAATRPA1MIFKEAP1NFE2L2
L-Sulforaphane SCHEMBL29370377 1.00 NAAA (0.50) NAAATRPA1MIFKEAP1NFE2L2
Sulforaphane SCHEMBL15822685 1.00 NAAA (0.50) NAAATRPA1MIFKEAP1NFE2L2
SCHEMBL25332541 0.98 NAAA (0.54) NAAATRPA1MIFKEAP1NFE2L2
SCHEMBL1607124 0.98 NAAA (0.54) NAAATRPA1MIFKEAP1NFE2L2
SCHEMBL14933784 0.98 NAAA (0.54) NAAATRPA1MIFKEAP1NFE2L2
SCHEMBL2485837 0.98 NAAA (0.54) NAAATRPA1MIFKEAP1NFE2L2
SCHEMBL106183 0.98 NAAA (0.54) NAAATRPA1MIFKEAP1NFE2L2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3688179-A1 ISOTHIOCYANATE CONTAINING BRASSICACEAE Commonwealth Scientific and Industrial Research Organisation (AU) 2020-08-05 EP disclosed
WO-2019060963-A1 ISOTHIOCYANATE CONTAINING BRASSICACEAE PRODUCTS AND METHOD OF PREPARATION THEREOF COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2019-04-04 WO disclosed