SCHEMBL5025287

SCHEMBL5025287

CC(C)(C)OC(=O)ON1CCN(C[C@@H](O)Cn2c3ccccc3c3cc(Br)ccc32)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
RAD52 P43351 2/20 0.62
BAX Q07812 2/20 0.52
MAPT P10636 5/20 0.51
MAPK1 P28482 4/20 0.51
TP53 P04637 2/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
POLB P06746 1/20 0.47
LMNA P02545 4/20 0.46
GAA P10253 1/20 0.46
HTT P42858 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ATM Q13315 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL5022677 1.00 MEN1 (0.62) MEN1KMT2ARAD52BAXMAPT
SCHEMBL5025317 1.00 MEN1 (0.62) MEN1KMT2ARAD52BAXMAPT
SCHEMBL5025352 0.95 BAX (0.56) MEN1KMT2ARAD52BAXMAPT
SCHEMBL5022633 0.95 BAX (0.56) MEN1KMT2ARAD52BAXMAPT
SCHEMBL5025336 0.91 MEN1 (0.60) MEN1KMT2ARAD52MAPTMAPK1
SCHEMBL607271 0.87 MEN1 (0.64) MEN1KMT2ARAD52BAXMAPT
SCHEMBL606958 0.87 MEN1 (0.64) MEN1KMT2ARAD52BAXMAPT
SCHEMBL608201 0.87 MEN1 (0.64) MEN1KMT2ARAD52BAXMAPT
SCHEMBL5022555 0.85 BAX (0.43) MEN1KMT2ARAD52BAXMAPT
SCHEMBL5025290 0.84 RAD52 (0.58) MEN1KMT2ARAD52BAXMAPT

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