SCHEMBL7526266

SCHEMBL7526266

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 8/20 0.37
HPGD P15428 2/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.35
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
FAAH O00519 1/20 0.31
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SIRT5 Q9NXA8 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
SCHEMBL7528241 0.93 PKM (0.43) PKMALDH1A1SMN1; SMN2HPGDUSP2
SCHEMBL7528615 0.82 MEN1 (0.32) ALDH1A1KMT2A
SCHEMBL8906827 0.82 ALDH1A1 (0.38) PKMALDH1A1SMN1; SMN2HPGDUSP2
SCHEMBL7528572 0.79 FLT3 (0.35) KDM4EKMT2A
SCHEMBL7532149 0.78 HPGD (0.46) ALDH1A1SMN1; SMN2HPGDMAPTRAB9A
SCHEMBL7523494 0.76 LMNA (0.49) PKMALDH1A1SMN1; SMN2
SCHEMBL7526174 0.76 PKM (0.32) PKMALDH1A1SMN1; SMN2HPGDUSP2
SCHEMBL708587 0.76 ALDH1A1 (0.42) PKMALDH1A1SMN1; SMN2HPGDUSP2
SCHEMBL14435485 0.74 SMN1; SMN2 (0.45) PKMALDH1A1SMN1; SMN2HPGDUSP2
SCHEMBL7529664 0.73 PKM (0.39) PKMALDH1A1SMN1; SMN2HPGDUSP2

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