SCHEMBL8624720

SCHEMBL8624720

CC1(C)COC(c2cc(F)c(F)c([Si](C)(C)C)c2F)=N1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ATM Q13315 2/20 0.36
IL2 P60568 1/20 0.35
ALDH1A1 P00352 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL9087397 0.83 HTT (0.43) HTTLMNAMAPTKDM4EATM
SCHEMBL9089149 0.82 HTT (0.42) HTTLMNAMAPTKDM4EATM
SCHEMBL9087599 0.79 HTT (0.40) HTTLMNAMAPTKDM4EATM
SCHEMBL8622918 0.79 HTT (0.47) HTTLMNAMAPTKDM4EATM
SCHEMBL9330422 0.75 ATM (0.48) HTTLMNAMAPTKDM4EATM
SCHEMBL5684165 0.73 HTT (0.45) HTTLMNAMAPTKDM4EATM
SCHEMBL9330931 0.72 ATM (0.51) HTTLMNAMAPTKDM4EATM
SCHEMBL9088408 0.72 KDM4E (0.40) HTTLMNAMAPTKDM4EATM
SCHEMBL7223905 0.71 KDM4E (0.53) HTTLMNAMAPTKDM4EATM
SCHEMBL9088744 0.71 HTT (0.43) HTTLMNAMAPTKDM4EATM

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2815119-B2 1998-10-27 JP claimed
EP-0398967-A1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1990-11-28 EP claimed
EP-0326891-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-08-09 EP claimed
WO-1989006649-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-07-27 WO claimed
US-5585491-A Antibacterial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-12-17 US disclosed
EP-0398967-A1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1990-11-28 EP disclosed
US-4920120-A 3-CARBOXY, 4-OXO, 6-FLUORO, 7-NITROGEN-CONTAINING RING 1,4-DIHYDRO-1,8-NAPHTHYRIDINES WARNER-LAMBERT COMPANY (US) 1990-04-24 US disclosed
EP-0326891-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-08-09 EP disclosed
WO-1989006649-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-07-27 WO disclosed