SCHEMBL5026821

SCHEMBL5026821

O[C@@H](CN1CCNCC1)Cn1c2ccccc2c2cc(-c3ccccc3)ccc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.75
BAX Q07812 2/20 0.63
MAPT P10636 3/20 0.62
MAPK1 P28482 2/20 0.62
TP53 P04637 1/20 0.62
CYP3A4 P08684 1/20 0.62
ALOX15 P16050 1/20 0.62
IDO1 P14902 1/20 0.61
POLB P06746 2/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
LMNA P02545 2/20 0.56
GAA P10253 1/20 0.56
ATM Q13315 1/20 0.55
DNM1 Q05193 1/20 0.53
BACE1 P56817 1/20 0.51
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
PER2 O15055 1/20 0.49
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL608297 1.00 RAD52 (0.75) RAD52BAXMAPTMAPK1TP53
SCHEMBL608753 1.00 RAD52 (0.75) RAD52BAXMAPTMAPK1TP53
SCHEMBL609293 0.96 RAD52 (0.68) RAD52BAXMAPTMAPK1TP53
SCHEMBL607018 0.88 RAD52 (0.97) RAD52BAXMAPTMAPK1TP53
Hydrochloric Acid SCHEMBL22609687 0.86 RAD52 (1.00) RAD52BAXMAPTMAPK1TP53
SCHEMBL608294 0.85 BAX (0.88) RAD52BAXMAPTMAPK1TP53
SCHEMBL607333 0.85 BAX (0.88) RAD52BAXMAPTMAPK1TP53
SCHEMBL609128 0.85 RAD52 (0.77) RAD52BAXMAPTMAPK1TP53
SCHEMBL607334 0.85 BAX (0.88) RAD52BAXMAPTMAPK1TP53
SCHEMBL607351 0.81 RAD52 (0.79) RAD52BAXMAPTMAPK1TP53

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 5 patents. 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
EP-1094063-A1 9-(Piperazinylalkyl)carbazoles as Bax-modulators Applied Research Systems ARS Holding N.V. (AN) 2001-04-25 EP claimed
US-8410110-B2 9-(piperazinylalkyl) carbazoles as Bax-modulators MERCK SERONO SA (CH) 2013-04-02 US disclosed
EP-1237887-B1 9-(PIPERAZINYLALKYL)CARBAZOLES AS BAX-MODULATORS SERONO LAB (CH) 2008-06-04 EP disclosed
EP-1094063-A1 9-(Piperazinylalkyl)carbazoles as Bax-modulators Applied Research Systems ARS Holding N.V. (AN) 2001-04-25 EP disclosed