SCHEMBL7649669

SCHEMBL7649669

CC(O)C(N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1c2ccccc2c2cc(Br)ccc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
MCHR1 Q99705 2/20 0.49
TP53 P04637 1/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
RGS12 O14924 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPK10 P53779 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL7654933 0.84 MAPT (0.51) MAPTGAATP53HTTLMNA
SCHEMBL7653796 0.84 MAPT (0.50) KDM4EMAPTGAARAB9ATP53
SCHEMBL7647493 0.83 MAPT (0.49) MAPTGAATP53HTTLMNA
SCHEMBL609438 0.83 MEN1 (0.63) KDM4EALDH1A1MAPTUSP2GAA
SCHEMBL7649914 0.83 IGF1R (0.47) KDM4EALDH1A1MAPTGAATP53
SCHEMBL7650324 0.82 MAPT (0.47) KDM4EALDH1A1MAPTGAATP53
SCHEMBL7649585 0.82 MAPT (0.47) MAPTGAATP53HTTLMNA
SCHEMBL7646684 0.82 MAPT (0.48) KDM4EALDH1A1MAPTGAATP53
SCHEMBL7651313 0.80 KMT2A (0.44) KDM4EALDH1A1MAPTMCHR1TP53
SCHEMBL7651244 0.79 SIGMAR1 (0.44) KDM4EALDH1A1MAPTTP53

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 disclosed
WO-2001029028-A1 9- (PIPERAZINYLALKYL) CARBAZOLES AS BAX-MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-04-26 WO disclosed