SCHEMBL7528615

SCHEMBL7528615

NC(=O)c1c(Br)c(NC(=O)CC(=O)Nc2c(Br)c(C(N)=O)c(Br)c(C(=O)Cl)c2Br)c(Br)c(C(=O)Cl)c1Br

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7528572 0.83 FLT3 (0.35) MEN1KMT2A
SCHEMBL7526266 0.82 PKM (0.39) KMT2AALDH1A1
SCHEMBL3718345 0.77 TSHR (0.34)
SCHEMBL7532149 0.75 HPGD (0.46) KMT2AALDH1A1
SCHEMBL7526071 0.74
SCHEMBL3726723 0.72 TSHR (0.40)
SCHEMBL7528241 0.72 PKM (0.43) ALDH1A1
SCHEMBL3733149 0.71 TSHR (0.33)
SCHEMBL13041035 0.71 LMNA (0.35)
SCHEMBL9238798 0.70 TSHR (0.39)

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-1186305-A1 New brominated compounds as contrast media for X-ray mammography Schering Aktiengesellschaft (DE) 2002-03-13 EP disclosed