SCHEMBL7530588

SCHEMBL7530588

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

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL7523870 0.92 LMNA (0.42) LMNA
SCHEMBL7523891 0.88 LMNA (0.41) LMNA
SCHEMBL7528603 0.86 LMNA (0.39) LMNA
SCHEMBL7523519 0.86 PKM (0.35) LMNA
SCHEMBL7522959 0.85 LMNA (0.42) LMNACYP2C19HIF1A
SCHEMBL7522583 0.83 LMNA (0.64) LMNACYP2C19HIF1A
SCHEMBL7524805 0.83 LMNA (0.37) LMNACYP2C19HIF1A
SCHEMBL12885827 0.83 LMNA (0.79) LMNACYP2C19HIF1A
SCHEMBL12871719 0.83 LMNA (0.65) LMNACYP2C19HIF1A
SCHEMBL7523494 0.81 LMNA (0.49) 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