SCHEMBL7648643

SCHEMBL7648643

OC(CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.OC(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAX Q07812 1/20 0.49
MAPT P10636 2/20 0.48
ALOX15 P16050 2/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
MCHR1 Q99705 2/20 0.48
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAD52 P43351 1/20 0.47
HTT P42858 1/20 0.47
CACNA1G O43497 1/20 0.44
KCNH2 Q12809 1/20 0.44
GAA P10253 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 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
SCHEMBL607213 0.92 BAX (0.57) BAXMAPTALOX15TP53CYP3A4
SCHEMBL610266 0.90 BAX (0.60) BAXMAPTALOX15TP53CYP3A4
SCHEMBL609438 0.87 MEN1 (0.63) BAXMAPTALOX15TP53CYP3A4
SCHEMBL7648649 0.87 LMNA (0.47) MAPTALOX15MCHR1LMNASMN1; SMN2
SCHEMBL607410 0.85 MEN1 (0.66) BAXMAPTALOX15TP53CYP3A4
SCHEMBL608259 0.82 MEN1 (0.63) BAXMAPTALOX15TP53CYP3A4
SCHEMBL608481 0.81 BAX (0.61) BAXMAPTALOX15TP53CYP3A4
SCHEMBL1304932 0.79 LMNA (0.67) MAPTALOX15MAPK1LMNASMN1; SMN2
SCHEMBL5022852 0.79 BAX (0.63) BAXMAPTALOX15TP53CYP3A4
SCHEMBL605834 0.79 BAX (0.63) BAXMAPTALOX15TP53CYP3A4

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