SCHEMBL5024545

SCHEMBL5024545

O=C(CN1CCNCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.45
MAPK1 P28482 2/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
RAD52 P43351 1/20 0.44
NLRP1 Q9C000 1/20 0.44
BAX Q07812 1/20 0.42
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
PTGS2 P35354 1/20 0.39
F10 P00742 1/20 0.39

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
SCHEMBL607343 0.84 BAX (0.61) MAPTTP53MAPK1HTTRAD52
SCHEMBL607520 0.78 TACR1 (0.50) MAPTTP53MAPK1HTTATM
SCHEMBL607341 0.76 RAD52 (0.76) MAPTTP53MAPK1HTTRAD52
SCHEMBL5022789 0.73 BAX (0.51) MAPTTP53MAPK1RAD52BAX
SCHEMBL30733932 0.72 CHRM5 (0.53)
SCHEMBL9322314 0.71 KDM4E (0.49) MAPTTP53HTTATMCYP3A4
SCHEMBL4877367 0.69 KMT2A (0.53) MAPTMAPK1KDM4EALDH1A1
SCHEMBL27520426 0.67 KDM4E (0.72) MAPTKDM4ETSHRALOX12L3MBTL1
SCHEMBL8861848 0.67 ATM (0.46) MAPTTP53HTTATMCYP3A4
SCHEMBL5026836 0.67 KRAS (0.46) MAPTTP53MAPK1RAD52BAX

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 1 patent. 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