SCHEMBL7530164

SCHEMBL7530164

CC(=O)OCC(CNC(=O)c1c(Br)c(NC(=O)CC(=O)Nc2c(Br)c(C(N)=O)c(Br)c(C(=O)NCC(COC(C)=O)OC(C)=O)c2Br)c(Br)c(C(N)=O)c1Br)OC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL7530998 0.89 ABCB1 (0.33) ABCB1TDP1
SCHEMBL7523519 0.88 PKM (0.35) ABCB1TDP1
SCHEMBL7528603 0.85 LMNA (0.39) ABCB1
SCHEMBL7526174 0.83 PKM (0.32) ABCB1
SCHEMBL7526872 0.83 GAA (0.34) ABCB1
SCHEMBL7526302 0.82 ABCB1 (0.31) ABCB1
SCHEMBL7523412 0.81 ABCB1 (0.37) ABCB1TDP1
SCHEMBL7527393 0.80 PRKCA (0.35) ABCB1
SCHEMBL28880451 0.80 LMNA (0.43) ABCB1
SCHEMBL7523870 0.79 LMNA (0.42)

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