SCHEMBL5087921

SCHEMBL5087921

O=C(O)N1CCN(CC(O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.70
NLRP1 Q9C000 1/20 0.70
LMNA P02545 4/20 0.59
MAPT P10636 4/20 0.59
HTT P42858 3/20 0.59
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
BAX Q07812 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HSP90AA1 P07900 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6823233 0.89 RAD52 (0.86) RAD52NLRP1LMNAMAPTHTT
SCHEMBL5110159 0.85 BAX (0.67) RAD52NLRP1LMNAMAPTHTT
SCHEMBL5025392 0.85 BAX (0.67) RAD52NLRP1LMNAMAPTHTT
SCHEMBL5087737 0.85 BAX (0.67) RAD52NLRP1LMNAMAPTHTT
SCHEMBL6819364 0.83 RAD52 (0.76) RAD52NLRP1LMNAMAPTHTT
SCHEMBL6816191 0.83 RAD52 (0.76) RAD52NLRP1LMNAMAPTHTT
SCHEMBL609732 0.83 RAD52 (0.61) RAD52NLRP1LMNAMAPTHTT
SCHEMBL608502 0.82 LMNA (0.74) RAD52NLRP1LMNAMAPTHTT
SCHEMBL609714 0.82 RAD52 (0.74) RAD52NLRP1LMNAMAPTHTT
SCHEMBL5026936 0.82 MEN1 (0.72) RAD52LMNAMAPTHTTALDH1A1

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