SCHEMBL2053492

SCHEMBL2053492

OC1(c2ccccc2)CCN(Oc2ccc(Oc3nc4ncccc4s3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 20/20 0.55
KCNH2 Q12809 4/20 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
SCHEMBL1890177 0.85 LTA4H (0.70) LTA4HKCNH2
SCHEMBL1896304 0.84 LTA4H (0.78) LTA4HKCNH2
SCHEMBL1894183 0.84 LTA4H (0.71) LTA4HKCNH2
SCHEMBL1889643 0.78 LTA4H (0.67) LTA4HKCNH2
SCHEMBL1891356 0.76 LTA4H (0.67) LTA4HKCNH2
SCHEMBL1889489 0.76 LTA4H (0.67) LTA4HKCNH2
SCHEMBL3756787 0.76 LTA4H (0.75) LTA4H
SCHEMBL2057465 0.75 LTA4H (0.72) LTA4HKCNH2
SCHEMBL1890064 0.75 LTA4H (0.68) LTA4HKCNH2
SCHEMBL1887431 0.74 LTA4H (0.69) LTA4HKCNH2

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
EP-2336125-A1 Thiazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase Janssen Pharmaceutica N.V. (BE) 2011-06-22 EP disclosed