SCHEMBL7529664

SCHEMBL7529664

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 7/20 0.37
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.31
FAAH O00519 1/20 0.31
LMNA P02545 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
SCHEMBL7527411 0.83
SCHEMBL7525276 0.81 POLB (0.30) POLB
SCHEMBL10455405 0.79 LMNA (0.40) PKMALDH1A1SMN1; SMN2HPGDUSP2
SCHEMBL7528241 0.79 PKM (0.43) PKMALDH1A1SMN1; SMN2HPGDUSP2
SCHEMBL7523494 0.74 LMNA (0.49) PKMALDH1A1SMN1; SMN2LMNA
SCHEMBL11057571 0.73 POLB (0.39) POLB
SCHEMBL7526266 0.73 PKM (0.39) PKMALDH1A1SMN1; SMN2HPGDUSP2
SCHEMBL7530763 0.73 LMNA (0.48) PKMALDH1A1SMN1; SMN2HPGDUSP2
SCHEMBL9190915 0.71 LMNA (0.53) SMN1; SMN2LMNA
SCHEMBL9287237 0.70 LMNA (0.65) 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