SCHEMBL7206946

SCHEMBL7206946

CC(=O)OCCC(Br)C(=O)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.54
ALDH1A1 P00352 4/20 0.46
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
APP P05067 1/20 0.40
GRM4 Q14833 1/20 0.40
KDM4E B2RXH2 5/20 0.39
GAA P10253 1/20 0.39
PKM P14618 2/20 0.39
EPHX2 P34913 1/20 0.38
MAPT P10636 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL19782386 0.78 GSK3B (0.51) GSK3BALDH1A1CES2CES1L3MBTL1
SCHEMBL29601629 0.77 GSK3B (0.66) GSK3BALDH1A1CES2CES1L3MBTL1
SCHEMBL15993270 0.77 GSK3B (0.66) GSK3BALDH1A1CES2CES1L3MBTL1
SCHEMBL15993216 0.77 GSK3B (0.57) GSK3BALDH1A1CES2CES1L3MBTL1
SCHEMBL15993028 0.76 GSK3B (0.55) GSK3BALDH1A1CES2CES1L3MBTL1
SCHEMBL30421407 0.75 GSK3B (0.58) GSK3BALDH1A1CES2CES1L3MBTL1
SCHEMBL19782876 0.75 GSK3B (0.54) GSK3BALDH1A1CES2CES1L3MBTL1
SCHEMBL19782864 0.74 GSK3B (0.57) GSK3BALDH1A1CES2CES1L3MBTL1
SCHEMBL8190351 0.72 GSK3B (0.58) GSK3BALDH1A1CES2CES1L3MBTL1
SCHEMBL29601272 0.72 GSK3B (0.58) GSK3BALDH1A1CES2CES1L3MBTL1

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
US-6610848-B1 Platinum 1,2-enedithiolates; L2Pt(S2C2(2-pyridine)(H) wherein L2 is bis(diphenyldiphoshino)methane (dppm), 1,2-bis(diphenyldiphosphino)ethane (dppe) or 1,3-bis(diphenyldiphosphino)propane (dppp) LUMET LLC 2003-08-26 US disclosed