SCHEMBL5022789

SCHEMBL5022789

O=C(CN1CCNCC1)Cn1c2ccc(Br)cc2c2cccc(Br)c21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BAX Q07812 2/20 0.51
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
TSPO P30536 3/20 0.40
RAD52 P43351 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KRAS P01116 3/20 0.36
BACE1 P56817 1/20 0.35
CNR2 P34972 1/20 0.35
NPC1 O15118 1/20 0.35
IDO1 P14902 1/20 0.35
DNMT1 P26358 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GLA P06280 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
SCHEMBL607343 0.87 BAX (0.61) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL5024545 0.73 MAPT (0.45) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL5026836 0.72 KRAS (0.46) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL20704845 0.68 BAX (0.61) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL608294 0.68 BAX (0.88) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL607333 0.68 BAX (0.88) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL607334 0.68 BAX (0.88) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL609012 0.68 BAX (1.00) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL29716701 0.68 BAX (1.00) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL609455 0.68 BAX (1.00) BAXMAPTTP53CYP3A4ALOX15

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