SCHEMBL7741705

SCHEMBL7741705

C=C(C)CC(=NOCC)C(C)=NOCc1ccccc1C(=NOC)C(=O)NC

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.39
PTGS2 P35354 1/20 0.35

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
SCHEMBL7740770 0.94 HIF1A (0.41) HIF1APTGS2
SCHEMBL17381623 0.94 HIF1A (0.41) HIF1APTGS2
SCHEMBL14877479 0.87 HIF1A (0.42) HIF1APTGS2
SCHEMBL12963018 0.85 HIF1A (0.44) HIF1APTGS2
SCHEMBL13148667 0.84 HIF1A (0.46) HIF1APTGS2
SCHEMBL7742002 0.82 HIF1A (0.39) HIF1APTGS2
SCHEMBL7742004 0.82 HIF1A (0.39) HIF1APTGS2
SCHEMBL17949971 0.82 HIF1A (0.45) HIF1APTGS2
SCHEMBL5972018 0.81 HIF1A (0.44) HIF1APTGS2
SCHEMBL12704666 0.81 HIF1A (0.44) HIF1APTGS2

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-6417388-B1 REARRANGEMENT USING BASIC OR ISOMERIZATION CATALYST BASF AKTIENGESELLSCHAFT (DE) 2002-07-09 US disclosed