SCHEMBL5028685

SCHEMBL5028685

O=C(O)N1CCN(CC(Cn2c3ccc(Br)cc3c3cc(Br)ccc32)NCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
RAD52 P43351 1/20 0.46
DNMT1 P26358 1/20 0.44
DNM1 Q05193 4/20 0.43
BAX Q07812 1/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 2/20 0.42
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FAAH O00519 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSPO P30536 1/20 0.39
KRAS P01116 2/20 0.39
PLA2G2A P14555 1/20 0.38

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 0.87 CHRM2 (0.43) KMT2AMEN1RAD52DNMT1HTT
SCHEMBL7649594 0.85 KMT2A (0.44) KMT2AMEN1RAD52DNMT1DNM1
SCHEMBL607992 0.84 BAX (0.60) KMT2AMEN1RAD52DNMT1DNM1
SCHEMBL5026838 0.82 KMT2A (0.39) KMT2AMEN1RAD52DNMT1DNM1
SCHEMBL5110159 0.79 BAX (0.67) KMT2AMEN1RAD52DNM1BAX
SCHEMBL5025392 0.79 BAX (0.67) KMT2AMEN1RAD52DNM1BAX
SCHEMBL5087737 0.79 BAX (0.67) KMT2AMEN1RAD52DNM1BAX
SCHEMBL5026850 0.79 MEN1 (0.73) KMT2AMEN1RAD52DNM1BAX
SCHEMBL5024544 0.79 MEN1 (0.73) KMT2AMEN1RAD52DNM1BAX
SCHEMBL5024534 0.79 MEN1 (0.73) KMT2AMEN1RAD52DNM1BAX

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