SCHEMBL5024609

SCHEMBL5024609

O=C(O)N1CCN(CC(F)(F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
KRAS P01116 3/20 0.39
IDO1 P14902 1/20 0.39
BAX Q07812 1/20 0.39
DNMT1 P26358 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
RAD52 P43351 1/20 0.37
TSPO P30536 2/20 0.36
ALDH1A1 P00352 2/20 0.35
PLA2G7 Q13093 1/20 0.35
MGLL Q99685 1/20 0.35
ABHD6 Q9BV23 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MET P08581 1/20 0.35

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 0.84 CHRM2 (0.45) MAPTKRASMEN1KMT2ALMNA
SCHEMBL609836 0.80 MAPT (0.60) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL5026836 0.79 KRAS (0.46) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL5024535 0.78 MAPT (0.36) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL5110159 0.77 BAX (0.67) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL5087737 0.77 BAX (0.67) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL5025392 0.77 BAX (0.67) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL5022531 0.76 BAX (0.50) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL5024544 0.72 MEN1 (0.73) MAPTTP53CYP3A4ALOX15MAPK1
SCHEMBL5026850 0.72 MEN1 (0.73) 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