SCHEMBL5754830

SCHEMBL5754830

COc1cccc2c([C@H](O)CN3CCN(C[C@H](O)CNc4cc(F)cc(F)c4)CC3)ccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
SLC2A1 P11166 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 5/20 0.40
LMNA P02545 4/20 0.40
HTR1A P08908 3/20 0.40
ADRA1D P25100 3/20 0.40
ADRA1A P35348 3/20 0.40
ADRA1B P35368 3/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HIF1A Q16665 2/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NR1I2 O75469 1/20 0.40
NR3C1 P04150 1/20 0.40

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 0.89 RECQL (0.45) RECQLMEN1KMT2AMAPTLMNA
SCHEMBL5752225 0.81 SLC2A1 (0.51) SLC2A1MEN1KMT2AKDM4EALDH1A1
SCHEMBL5752229 0.81 SLC2A1 (0.51) SLC2A1MEN1KMT2AKDM4EALDH1A1
SCHEMBL7086857 0.81 SLC2A1 (0.51) SLC2A1MEN1KMT2AKDM4EALDH1A1
SCHEMBL5752222 0.81 SLC2A1 (0.51) SLC2A1MEN1KMT2AKDM4EALDH1A1
SCHEMBL5757154 0.78 L3MBTL1 (0.54) MEN1KMT2AMAPTLMNAHTR1A
SCHEMBL6626086 0.75 HTR1A (0.47) SLC2A1MEN1KMT2AMAPTLMNA
SCHEMBL5773715 0.74 SLC2A1 (0.39) SLC2A1MEN1KMT2AHTR1AADRA1B
SCHEMBL5777034 0.74 HTR1A (0.49) MEN1KMT2AMAPTLMNAHTR1A
SCHEMBL5756004 0.73 SIGMAR1 (0.42) HTR1AADRA1DADRA1ADRD2HTR2B

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