SCHEMBL16509889

SCHEMBL16509889

CC(C)CN(Cc1ccc2c(c1)C=CC(C)(C)O2)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 16/20 0.74
▸ EPAS1 Q99814 16/20 0.74
▸ EP300 Q09472 3/20 0.51
▸ TLR3 O15455 1/20 0.48

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
SCHEMBL14063594 0.90 HIF1A (0.58) HIF1AEPAS1EP300
SCHEMBL14071611 0.87 HIF1A (0.56) HIF1AEPAS1EP300
SCHEMBL16509890 0.84 HIF1A (0.75) HIF1AEPAS1EP300
SCHEMBL14571754 0.83 HIF1A (0.66) HIF1AEPAS1EP300TLR3
SCHEMBL14063560 0.82 HIF1A (0.65) HIF1AEPAS1EP300
SCHEMBL15070035 0.82 HIF1A (1.00) HIF1AEPAS1EP300TLR3
SCHEMBL14063553 0.79 HIF1A (0.74) HIF1AEPAS1EP300
SCHEMBL14063595 0.78 HIF1A (0.75) HIF1AEPAS1EP300
SCHEMBL14071516 0.77 HIF1A (0.75) HIF1AEPAS1EP300
SCHEMBL14063593 0.77 HIF1A (0.63) HIF1AEPAS1EP300

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-8071795-B2 Hypoxia inducible factor (Hif); for modulating mRNA translation within cells; prevents excessive vascularization EMORY UNIVERSITY (US) 2011-12-06 — — US disclosed
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