SCHEMBL2188951

SCHEMBL2188951

CC(C)(C)OC(=O)c1cccc(NCc2ccccc2)c1.CC(C)NC(=O)c1cc(NCc2ccccc2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.44
PPARA Q07869 7/20 0.43
SLC7A5 Q01650 1/20 0.43
HDAC8 Q9BY41 2/20 0.41
HDAC11 Q96DB2 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
FFAR1 O14842 2/20 0.39
SENP1 Q9P0U3 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL2188257 0.86 HIF1A (0.50) HIF1APPARAHDAC8CA1CA2
SCHEMBL2188031 0.86 HIF1A (0.50) HIF1APPARAHDAC8CA1CA2
SCHEMBL2190706 0.84 HIF1A (0.55) HIF1APPARASLC7A5HDAC8HDAC11
SCHEMBL17604932 0.78 PPARA (0.61) PPARA
SCHEMBL2189778 0.78 HDAC8 (0.58) HIF1APPARAHDAC8HDAC11CA1
SCHEMBL2187378 0.76 PPARA (0.49) PPARAFNTAFNTBPGGT1BFFAR1
SCHEMBL2185832 0.76 PPARA (0.58) PPARASLC7A5FFAR1
SCHEMBL13662621 0.76 PPARA (0.49) HIF1APPARASLC7A5HDAC8HDAC11
SCHEMBL13641732 0.75 MEN1 (0.52) HIF1APPARASLC7A5FFAR1
SCHEMBL13605111 0.74 CA1 (0.57) HIF1APPARASLC7A5CA1CA2

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-2342177-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-07-13 EP disclosed
WO-2010023448-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO disclosed