SCHEMBL8630585

SCHEMBL8630585

CC1(C)COC(c2c(F)c(F)c(F)c(F)c2F)=N1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 2/20 0.35
HRH3 Q9Y5N1 3/20 0.34
CYP2D6 P10635 1/20 0.34
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
ALDH1A1 P00352 1/20 0.33
IL2 P60568 1/20 0.32

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
SCHEMBL9085324 0.89 KDM4E (0.42) KDM4EHTTLMNAMAPTATM
SCHEMBL9089557 0.81 KDM4E (0.42) KDM4EHTTLMNAMAPTATM
SCHEMBL8647828 0.81 KDM4E (0.36) KDM4EHTTLMNAMAPTATM
SCHEMBL2886677 0.77 KDM4E (0.59) KDM4EHTTLMNAMAPTATM
SCHEMBL610883 0.77 HTT (0.47) KDM4EHTTLMNAMAPTATM
SCHEMBL9088744 0.76 HTT (0.43) KDM4EHTTLMNAMAPTATM
SCHEMBL9084909 0.76 KDM4E (0.38) KDM4EHTTLMNAMAPTATM
SCHEMBL8553043 0.76 KDM4E (0.41) KDM4EHTTLMNAMAPTATM
SCHEMBL8624063 0.76 KDM4E (0.38) KDM4EHTTLMNAMAPTATM
SCHEMBL9088638 0.76 KDM4E (0.38) KDM4EHTTLMNAMAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10291959-A None JP disclosed
EP-1114812-B1 PROCESSES FOR THE PREPARATION OF FLUORINATED BENZOIC ACIDS OTSUKA PHARMA CO LTD (JP) 2007-06-20 EP disclosed
JP-H10291959-A PRODUCTION OF COMPOUND WARNER LAMBERT CO 1998-11-04 JP disclosed
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