SCHEMBL4704902

SCHEMBL4704902

O=C(O)c1ccc(CNC2CCN(Cc3ccc(Oc4ccccc4)cc3)C(I)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 17/20 0.57
SRD5A2 P31213 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3030359 0.83 LTA4H (0.76) LTA4HMEN1KMT2A
SCHEMBL3036726 0.83 LTA4H (0.76) LTA4HMEN1KMT2A
SCHEMBL3035375 0.80 SRD5A2 (0.61) LTA4HSRD5A2MEN1KMT2A
SCHEMBL3040865 0.79 LTA4H (0.77) LTA4H
SCHEMBL3040863 0.79 LTA4H (0.77) LTA4H
SCHEMBL3035452 0.76 LTA4H (0.65) LTA4HMEN1KMT2A
SCHEMBL3039567 0.75 LTA4H (0.64) LTA4HMEN1KMT2A
SCHEMBL5312324 0.74 LTA4H (0.72) LTA4HMEN1KMT2A
SCHEMBL3032189 0.73 LTA4H (0.78) LTA4HSRD5A2
SCHEMBL3045089 0.72 LTA4H (1.00) LTA4H

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-1976828-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE Schering Aktiengesellschaft (DE) 2008-10-08 EP claimed
WO-2007079078-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-12 WO claimed