SCHEMBL7526174

SCHEMBL7526174

CC(=O)OCC(=O)Nc1c(Br)c(C(=O)Cl)c(Br)c(C(=O)NCC(COC(C)=O)OC(C)=O)c1Br

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.32
ABCB1 P08183 1/20 0.32
LMNA P02545 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 2/20 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
SCHEMBL7526302 0.95 ABCB1 (0.31) ABCB1LMNA
SCHEMBL7523519 0.95 PKM (0.35) PKMABCB1LMNAUSP2HPGD
SCHEMBL7530998 0.94 ABCB1 (0.33) ABCB1
SCHEMBL7526872 0.88 GAA (0.34) PKMABCB1LMNASMN1; SMN2
SCHEMBL9009307 0.85 LMNA (0.43) ABCB1LMNAUSP2HPGDALDH1A1
SCHEMBL7523870 0.85 LMNA (0.42) LMNA
SCHEMBL7527393 0.84 PRKCA (0.35) ABCB1LMNA
SCHEMBL7527984 0.84 ABCB1 (0.34) ABCB1
SCHEMBL7530164 0.83 ABCB1 (0.33) ABCB1
SCHEMBL7524805 0.82 LMNA (0.37) LMNA

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