SCHEMBL5024535

SCHEMBL5024535

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
BAX Q07812 1/20 0.34
KRAS P01116 3/20 0.34
IDO1 P14902 2/20 0.34
TSPO P30536 1/20 0.34
PER2 O15055 2/20 0.33
PLK1 P53350 1/20 0.33
CRY1 Q16526 2/20 0.33
CRY2 Q49AN0 2/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
MEN1 O00255 1/20 0.33
RAD52 P43351 1/20 0.33

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
SCHEMBL607382 0.85 CHRM2 (0.45) MAPTKRASPLK1MEN1KMT2A
SCHEMBL5026847 0.83 TSPO (0.39) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL5022633 0.82 BAX (0.56) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL5025352 0.82 BAX (0.56) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL5022555 0.81 BAX (0.43) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL5024609 0.78 MAPT (0.41) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL5025317 0.78 MEN1 (0.62) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL5025287 0.78 MEN1 (0.62) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL5022677 0.78 MEN1 (0.62) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL5026838 0.74 KMT2A (0.39) MAPTTP53CYP3A4ALOX15MAPK1

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