SCHEMBL6570232

SCHEMBL6570232

[N-]=[N+]=NN(CC(=O)Br)C(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.35
ALDH1A1 P00352 3/20 0.35
PTPN1 P18031 1/20 0.34
GSK3B P49841 1/20 0.34
DEPTOR Q8TB45 1/20 0.34
ADRA2C P18825 1/20 0.33
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CES1 P23141 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD11B1 P28845 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL2916195 0.87 HPGD (0.37) HPGDALDH1A1DEPTORADRA2CMAPT
Bromide SCHEMBL6570241 0.86 HPGD (0.36) HPGDALDH1A1DEPTORADRA2CMAPT
SCHEMBL150887 0.71 TSHR (0.39) HPGDALDH1A1DEPTORADRA2CMAPT
SCHEMBL23199903 0.68 NPC1 (0.42) ALDH1A1SMN1; SMN2TDP1CES1MEN1
SCHEMBL22245104 0.66 NPC1 (0.40) ALDH1A1SMN1; SMN2TDP1MEN1KMT2A
SCHEMBL28473056 0.66 DEPTOR (0.37) HPGDALDH1A1DEPTORMAPTCES1
SCHEMBL3973751 0.64 NPSR1 (0.36) ALDH1A1SMN1; SMN2TDP1MEN1CYP3A4
SCHEMBL10296224 0.62 GSK3B (0.45) HPGDALDH1A1PTPN1GSK3BADRA2C
SCHEMBL16944257 0.62 ALDH1A1 (0.47) HPGDALDH1A1PTPN1GSK3BADRA2C
SCHEMBL27463521 0.62 TDP1 (0.50) HPGDALDH1A1DEPTORMAPTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1407264-A1 CAGED COMPOUND CLEAVING PROCESS Cardiogenics Inc. (CA) 2004-04-14 EP disclosed
WO-2003008969-A1 CAGED COMPOUND CLEAVING PROCESS CARDIOGENICS INC. (CA) 2003-01-30 WO disclosed