SCHEMBL5026836

SCHEMBL5026836

O=C(CN1CCN(C(=O)O)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 4/20 0.46
TSPO P30536 2/20 0.43
BAX Q07812 2/20 0.41
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
DNMT1 P26358 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAD52 P43351 1/20 0.39
ALDH1A1 P00352 1/20 0.39
AKR1B10 O60218 1/20 0.38
AKR1A1 P14550 1/20 0.38
AKR1B1 P15121 1/20 0.38
NPC1 O15118 1/20 0.38
IDO1 P14902 1/20 0.37
DNM1 Q05193 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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 0.83 BAX (0.61) KRASTSPOBAXMAPTTP53
SCHEMBL609239 0.82 CHRM2 (0.52) KRASTSPO
SCHEMBL5087737 0.80 BAX (0.67) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL5110159 0.80 BAX (0.67) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL5025392 0.80 BAX (0.67) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL608957 0.79 CCR1 (0.47) KRASTSPOMAPTMEN1KMT2A
SCHEMBL5022531 0.79 BAX (0.50) KRASBAXMAPTTP53CYP3A4
SCHEMBL5024609 0.79 MAPT (0.41) KRASTSPOBAXMAPTTP53
SCHEMBL5026847 0.76 TSPO (0.39) KRASTSPOBAXMAPTTP53
SCHEMBL5026850 0.75 MEN1 (0.73) 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