SCHEMBL7523494

SCHEMBL7523494

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

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL7522869 0.87 LMNA (0.44) LMNA
SCHEMBL7529357 0.83 LMNA (0.64) LMNASMN1; SMN2ALDH1A1
SCHEMBL7530588 0.81 LMNA (0.53) LMNACYP2C19HIF1A
SCHEMBL7522583 0.79 LMNA (0.64) LMNACYP2C19HIF1A
SCHEMBL709499 0.77 LMNA (0.64) LMNASMN1; SMN2ALDH1A1CYP2C19HIF1A
SCHEMBL13955980 0.76 LMNA (0.66) LMNAALDH1A1CYP2C19HIF1A
SCHEMBL7534524 0.76 LMNA (0.60) LMNACYP2C19HIF1A
SCHEMBL7526266 0.76 PKM (0.39) PKMSMN1; SMN2ALDH1A1
SCHEMBL14435477 0.76 LMNA (0.48) LMNAPKMSMN1; SMN2ALDH1A1
SCHEMBL7530763 0.75 LMNA (0.48) LMNAPKMSMN1; SMN2ALDH1A1CYP2C19

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