SCHEMBL7649594

SCHEMBL7649594

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
RAD52 P43351 1/20 0.44
HTT P42858 1/20 0.43
DNMT1 P26358 1/20 0.42
BAX Q07812 2/20 0.41
MAPT P10636 2/20 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
DNM1 Q05193 6/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSPO P30536 1/20 0.38
PLA2G2A P14555 1/20 0.37
HPSE Q9Y251 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5028685 0.85 KMT2A (0.46) KMT2AMEN1RAD52HTTDNMT1
SCHEMBL605851 0.80 CHRM2 (0.43) KMT2AMEN1RAD52HTTDNMT1
SCHEMBL607992 0.80 BAX (0.60) KMT2AMEN1RAD52HTTDNMT1
SCHEMBL5026838 0.79 KMT2A (0.39) KMT2AMEN1RAD52HTTDNMT1
SCHEMBL607023 0.69 LMNA (0.73) KMT2AMEN1RAD52HTTBAX
SCHEMBL6819686 0.67 BAX (0.82) KMT2AMEN1RAD52HTTBAX
SCHEMBL6815606 0.67 MEN1 (0.88) KMT2AMEN1RAD52BAXMAPT
SCHEMBL5024544 0.66 MEN1 (0.73) KMT2AMEN1RAD52HTTBAX
SCHEMBL5026850 0.66 MEN1 (0.73) KMT2AMEN1RAD52HTTBAX
SCHEMBL5024534 0.66 MEN1 (0.73) KMT2AMEN1RAD52HTTBAX

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237887-A1 9-(PIPERAZINYLALKYL)CARBAZOLES AS BAX-MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-11 EP claimed
WO-2001029028-A1 9- (PIPERAZINYLALKYL) CARBAZOLES AS BAX-MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-04-26 WO claimed