SCHEMBL5026838

SCHEMBL5026838

CC(C)(C)OC(=O)ON1CCN(CC(Cn2c3ccc(Br)cc3c3cc(Br)ccc32)NCc2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
RAD52 P43351 1/20 0.39
HTT P42858 1/20 0.39
DNMT1 P26358 1/20 0.38
DNM1 Q05193 4/20 0.37
BAX Q07812 1/20 0.37
PLA2G2A P14555 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSPO P30536 3/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
OPRM1 P35372 1/20 0.34
HPSE Q9Y251 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
SCHEMBL605851 0.88 CHRM2 (0.43) KMT2AMEN1RAD52HTTDNMT1
SCHEMBL5028685 0.82 KMT2A (0.46) KMT2AMEN1RAD52HTTDNMT1
SCHEMBL5025352 0.82 BAX (0.56) KMT2AMEN1RAD52HTTDNM1
SCHEMBL5022633 0.82 BAX (0.56) KMT2AMEN1RAD52HTTDNM1
SCHEMBL5022677 0.81 MEN1 (0.62) KMT2AMEN1RAD52HTTDNM1
SCHEMBL5025287 0.81 MEN1 (0.62) KMT2AMEN1RAD52HTTDNM1
SCHEMBL5025317 0.81 MEN1 (0.62) KMT2AMEN1RAD52HTTDNM1
SCHEMBL5022555 0.81 BAX (0.43) KMT2AMEN1RAD52HTTDNMT1
SCHEMBL7649594 0.79 KMT2A (0.44) KMT2AMEN1RAD52HTTDNMT1
SCHEMBL607992 0.77 BAX (0.60) KMT2AMEN1RAD52HTTDNMT1

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