SCHEMBL5024339

SCHEMBL5024339

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAX Q07812 2/20 0.72
MAPT P10636 3/20 0.70
TP53 P04637 1/20 0.70
CYP3A4 P08684 1/20 0.70
ALOX15 P16050 1/20 0.70
MAPK1 P28482 1/20 0.70
RAD52 P43351 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSPO P30536 3/20 0.44
DNM1 Q05193 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
OPRM1 P35372 1/20 0.42
P2RX3 P56373 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
IDO1 P14902 1/20 0.38
DNMT1 P26358 1/20 0.38
PER2 O15055 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
SCHEMBL29992291 1.00 BAX (0.72) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL5024320 1.00 BAX (0.72) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL29398838 1.00 BAX (0.72) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL607745 1.00 BAX (0.72) BAXMAPTTP53CYP3A4ALOX15
Hydrochloric Acid SCHEMBL31038642 0.99 MAPT (0.73) BAXMAPTTP53CYP3A4ALOX15
Hydrochloric Acid SCHEMBL29462932 0.99 MAPT (0.73) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL19419604 0.93 BAX (0.63) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL5024368 0.84 BAX (0.72) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL607771 0.84 BAX (0.72) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL609012 0.84 BAX (1.00) BAXMAPTTP53CYP3A4ALOX15

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