SCHEMBL5024368

SCHEMBL5024368

N[C@H](CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BAX Q07812 2/20 0.72
MAPT P10636 4/20 0.70
TP53 P04637 2/20 0.70
MAPK1 P28482 2/20 0.70
CYP3A4 P08684 1/20 0.70
ALOX15 P16050 1/20 0.70
RAD52 P43351 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
DNM1 Q05193 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
P2RX3 P56373 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
IDO1 P14902 1/20 0.38
DNMT1 P26358 1/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL607098 1.00 BAX (0.72) BAXMAPTTP53MAPK1CYP3A4
SCHEMBL607771 1.00 BAX (0.72) BAXMAPTTP53MAPK1CYP3A4
SCHEMBL29432619 0.84 BAX (1.00) BAXMAPTTP53MAPK1CYP3A4
SCHEMBL29716701 0.84 BAX (1.00) BAXMAPTTP53MAPK1CYP3A4
SCHEMBL29992291 0.84 BAX (0.72) BAXMAPTTP53MAPK1CYP3A4
SCHEMBL607745 0.84 BAX (0.72) BAXMAPTTP53MAPK1CYP3A4
SCHEMBL609012 0.84 BAX (1.00) BAXMAPTTP53MAPK1CYP3A4
SCHEMBL609455 0.84 BAX (1.00) BAXMAPTTP53MAPK1CYP3A4
SCHEMBL5024320 0.84 BAX (0.72) BAXMAPTTP53MAPK1CYP3A4
SCHEMBL5024339 0.84 BAX (0.72) BAXMAPTTP53MAPK1CYP3A4

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 3 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
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