SCHEMBL4908079

SCHEMBL4908079

CN(C(=O)c1ccc(I)cc1)c1cccc(C#N)c1.O=C(O)c1ccc(I)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.51
HSD17B1 P14061 5/20 0.43
HSD17B2 P37059 5/20 0.43
TPMT P51580 1/20 0.42
HTT P42858 2/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KCNN4 O15554 1/20 0.39
KCNA5 P22460 1/20 0.39
CLK1 P49759 1/20 0.39
HSD17B10 Q99714 2/20 0.39
PGR P06401 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4863265 0.95 MAPK14 (0.54) MAPK14HSD17B1HSD17B2HTTKMT2A
SCHEMBL2894252 0.85 MAPK14 (0.55) MAPK14HSD17B1HSD17B2HTTKMT2A
SCHEMBL665128 0.80 HSD17B2 (0.66) MAPK14HSD17B1HSD17B2KDM4ECLK1
SCHEMBL12574227 0.78 MAPK14 (0.46) MAPK14HTTKMT2AMEN1KCNN4
SCHEMBL18816698 0.77 HSD17B10 (0.54) MAPK14HTTKMT2AKDM4EMEN1
SCHEMBL29273240 0.75 KMT2A (0.62) HTTKMT2AKDM4EMEN1NPC1
SCHEMBL17265581 0.73 MAPK14 (0.45) MAPK14KMT2AMEN1KCNN4KCNA5
SCHEMBL9567794 0.73 KMT2A (0.68) HTTKMT2AKDM4EMEN1NPC1
SCHEMBL9001629 0.73 KMT2A (0.62) HSD17B1HSD17B2HTTKMT2AKDM4E
SCHEMBL4181087 0.72 KMT2A (0.57) HSD17B1HSD17B2HTTKMT2AKDM4E

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-7384963-B2 2′-Methyl-5-(1,3,4-oxadiazol-2-yl)1, 1′-biphenyl-4-carboxaide derivatives and their use as p38 kinase GLAXO GROUP LIMITED (GB) 2008-06-10 US disclosed