SCHEMBL7522959

SCHEMBL7522959

CC(=O)OCC(CNC(=O)c1c(Br)c(NS(=O)(=O)CBr)c(Br)c(C(=O)N(C)CC(O)CO)c1Br)OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL7524163 0.88 LMNA (0.49) LMNACYP2C19HIF1A
SCHEMBL7530588 0.85 LMNA (0.53) LMNACYP2C19HIF1A
SCHEMBL7527890 0.82 GAA (0.33)
SCHEMBL7528603 0.78 LMNA (0.39) LMNA
SCHEMBL7525129 0.78 LMNA (0.38) LMNACYP2C19HIF1A
SCHEMBL12871719 0.76 LMNA (0.65) LMNACYP2C19HIF1A
SCHEMBL7523870 0.76 LMNA (0.42) LMNA
SCHEMBL7523891 0.76 LMNA (0.41) LMNA
SCHEMBL7532512 0.74 ABCB1 (0.31)
SCHEMBL7524812 0.73 CYP2C19 (0.43) LMNACYP2C19HIF1A

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