SCHEMBL5757154

SCHEMBL5757154

COc1cccc2c([C@H](O)CN3CCN(CC(O)COc4ccccc4)CC3)ccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
MAPT P10636 7/20 0.52
LMNA P02545 4/20 0.52
KDM4E B2RXH2 4/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPK1 P28482 3/20 0.52
HIF1A Q16665 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
KCNH2 Q12809 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP2D6 P10635 2/20 0.52
TSHR P16473 2/20 0.52
TP53 P04637 2/20 0.52
NR1I2 O75469 1/20 0.52
NR3C1 P04150 1/20 0.52
ADRB1 P08588 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
DRD2 P14416 1/20 0.52

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
SCHEMBL5760601 0.85 RECQL (0.45) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL5760090 0.81 ABCB1 (0.47) LMNAKDM4EALDH1A1HTR1ADRD2
SCHEMBL5757406 0.80 MAPT (0.55) L3MBTL1MAPTKDM4EMEN1KMT2A
SCHEMBL5757150 0.80 MAPT (0.55) L3MBTL1MAPTKDM4EMEN1KMT2A
SCHEMBL5757409 0.80 MAPT (0.55) L3MBTL1MAPTKDM4EMEN1KMT2A
SCHEMBL6626086 0.79 HTR1A (0.47) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL5777034 0.78 HTR1A (0.49) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL5754830 0.78 RECQL (0.41) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL5754921 0.77 MAPK1 (0.43) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL17313697 0.77 KCNH2 (0.78) L3MBTL1MAPTLMNAKDM4EMEN1

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-1343765-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERAZINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2006-11-22 EP claimed