SCHEMBL5022683

SCHEMBL5022683

COc1ccc(CN2CCN(C[C@@H](O)Cn3c4ccc(Br)cc4c4cc(Br)ccc43)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.72
LMNA P02545 3/20 0.72
HTT P42858 2/20 0.72
BAX Q07812 2/20 0.60
MAPT P10636 4/20 0.58
TP53 P04637 2/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX15 P16050 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
RAD52 P43351 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
GAA P10253 1/20 0.53
DNM1 Q05193 5/20 0.49
NLRP1 Q9C000 1/20 0.47
PIK3R1 P27986 1/20 0.46
PIK3CA P42336 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
PRMT5 O14744 1/20 0.46

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
SCHEMBL605725 1.00 MAPK1 (0.72) MAPK1LMNAHTTBAXMAPT
SCHEMBL605724 1.00 MAPK1 (0.72) MAPK1LMNAHTTBAXMAPT
SCHEMBL607384 0.95 LMNA (0.82) MAPK1LMNAHTTBAXMAPT
SCHEMBL5085817 0.87 IGF1R (0.60) MAPK1LMNAHTTBAXMAPT
SCHEMBL608481 0.86 BAX (0.61) MAPK1LMNAHTTBAXMAPT
SCHEMBL605834 0.85 BAX (0.63) MAPK1LMNAHTTBAXMAPT
SCHEMBL605835 0.85 BAX (0.63) MAPK1LMNAHTTBAXMAPT
SCHEMBL5022852 0.85 BAX (0.63) MAPK1LMNAHTTBAXMAPT
SCHEMBL607023 0.85 LMNA (0.73) MAPK1LMNAHTTBAXMAPT
SCHEMBL607474 0.84 LMNA (1.00) MAPK1LMNAHTTMAPTTP53

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