SCHEMBL5255397

SCHEMBL5255397

COc1cccc2c([C@H](O)CN3CCC(NCc4ccc5c(c4)NC(=O)CCS5)CC3)ccnc12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
SLC2A1 P11166 11/20 0.44
KMT2A Q03164 2/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL5258502 0.86 KCNH2 (0.64) KCNH2SLC2A1
SCHEMBL5255393 0.86 KCNH2 (0.64) KCNH2SLC2A1
SCHEMBL5258498 0.86 KCNH2 (0.64) KCNH2SLC2A1
SCHEMBL14434168 0.84 KCNH2 (0.52) KCNH2SLC2A1KMT2A
SCHEMBL5258710 0.81 KCNH2 (0.45) KCNH2SLC2A1PRMT5WDR77
SCHEMBL5775045 0.79 KCNH2 (0.52) KCNH2SLC2A1PRMT5WDR77
SCHEMBL5257022 0.79 KCNH2 (0.65) KCNH2SLC2A1
SCHEMBL5255571 0.79 KCNH2 (0.65) KCNH2SLC2A1
SCHEMBL5255719 0.78 SLC2A1 (0.43) KCNH2SLC2A1
SCHEMBL5253700 0.78 KCNH2 (0.49) KCNH2SLC2A1

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-1359908-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2007-08-22 EP claimed