SCHEMBL9087397

SCHEMBL9087397

Cc1c(F)c(F)cc(C2=NC(C)(C)CO2)c1F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.41
IL2 P60568 1/20 0.38
ATM Q13315 2/20 0.37
ALDH1A1 P00352 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
CYP2D6 P10635 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
SCHEMBL9089149 0.86 HTT (0.42) HTTLMNAMAPTKDM4EIL2
SCHEMBL8624720 0.83 HTT (0.42) HTTLMNAMAPTKDM4EIL2
SCHEMBL9088744 0.81 HTT (0.43) HTTLMNAMAPTKDM4EIL2
SCHEMBL9087599 0.81 HTT (0.40) HTTLMNAMAPTKDM4EIL2
SCHEMBL8622918 0.80 HTT (0.47) HTTLMNAMAPTKDM4EIL2
SCHEMBL23748160 0.76 MAPT (0.39) HTTLMNAMAPTKDM4EIL2
SCHEMBL23748196 0.74 MAPT (0.42) HTTLMNAMAPTKDM4EIL2
SCHEMBL7521692 0.74 LMNA (0.45) HTTLMNAMAPTKDM4EIL2
SCHEMBL9089557 0.73 KDM4E (0.42) HTTLMNAMAPTKDM4EIL2
SCHEMBL9330422 0.73 ATM (0.48) HTTLMNAMAPTKDM4EIL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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