SCHEMBL28535628

SCHEMBL28535628

O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(OP)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.46
ALPI P09923 2/20 0.46
ALDH1A1 P00352 6/20 0.46
MAPK1 P28482 3/20 0.46
HIF1A Q16665 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 3/20 0.42
HSPB1 P04792 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
GUSB P08236 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL28741180 0.87 ALDH1A1 (0.47) ALPLALPIALDH1A1MAPK1HIF1A
SCHEMBL29577728 0.86 ALPL (0.49) ALPLALPIALDH1A1MAPK1HIF1A
SCHEMBL29274922 0.86 ALDH1A1 (0.46) ALPLALPIALDH1A1MAPK1HIF1A
SCHEMBL30691804 0.86 CYP1A2 (0.58) ALPLALPIALDH1A1MAPK1HIF1A
SCHEMBL20547997 0.86 CYP1A2 (0.58) ALPLALPIALDH1A1MAPK1HIF1A
SCHEMBL28925192 0.84 ALDH1A1 (0.44) ALPLALPIALDH1A1MAPK1HIF1A
SCHEMBL28571516 0.83 ALDH1A1 (0.49) ALPLALPIALDH1A1MAPK1HIF1A
SCHEMBL4450405 0.79 ALDH1A1 (0.55) ALDH1A1MAPK1HIF1ACYP1A2CYP3A4
SCHEMBL31120327 0.77 ALPL (0.81) ALPLALPIALDH1A1CA2MEN1
SCHEMBL11817089 0.76 ALDH1A1 (0.52) ALDH1A1MAPK1HIF1ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112569255-B Metal-organic nano composite for efficiently triggering tumor cell iron death and construction method and application thereof 复旦大学 2021-09-07 CN claimed
CN-112569255-A Metal-organic nano composite for efficiently triggering tumor cell iron death and construction method and application thereof 复旦大学 2021-03-30 CN claimed
CN-112569255-B Metal-organic nano composite for efficiently triggering tumor cell iron death and construction method and application thereof 复旦大学 2021-09-07 CN disclosed
CN-112569255-B Metal-organic nano composite for efficiently triggering tumor cell iron death and construction method and application thereof 复旦大学 2021-09-07 CN disclosed
CN-112569255-A Metal-organic nano composite for efficiently triggering tumor cell iron death and construction method and application thereof 复旦大学 2021-03-30 CN disclosed
CN-112569255-A Metal-organic nano composite for efficiently triggering tumor cell iron death and construction method and application thereof 复旦大学 2021-03-30 CN disclosed