SCHEMBL5026847

SCHEMBL5026847

CC(C)(C)OC(=O)ON1CCN(CC(=O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.39
KRAS P01116 7/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
BAX Q07812 1/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.34
RAD52 P43351 1/20 0.34
KMT2A Q03164 1/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3B P49841 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34

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
SCHEMBL609239 0.85 CHRM2 (0.52) TSPOKRASCHRM2CHRM4CHRM1
SCHEMBL5024535 0.83 MAPT (0.36) TSPOKRASBAXMAPTTP53
SCHEMBL5022633 0.83 BAX (0.56) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL5025352 0.83 BAX (0.56) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL5022555 0.82 BAX (0.43) TSPOKRASBAXMAPTTP53
SCHEMBL5025317 0.79 MEN1 (0.62) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL5025287 0.79 MEN1 (0.62) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL5022677 0.79 MEN1 (0.62) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL5026838 0.76 KMT2A (0.39) TSPOBAXMAPTTP53CYP3A4
SCHEMBL5026836 0.76 KRAS (0.46) TSPOKRASBAXMAPTTP53

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-1237887-B1 9-(PIPERAZINYLALKYL)CARBAZOLES AS BAX-MODULATORS SERONO LAB (CH) 2008-06-04 EP claimed