SCHEMBL9549948

SCHEMBL9549948

COC(=O)NOC(=O)/C=C/C(=O)ONC(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.52
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
GFPT1 Q06210 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL28063285 0.80 HCAR2 (0.36) HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL8337805 0.77 HCAR2 (0.48) HCAR2KEAP1NFE2L2ALDH1A1MAPT
SCHEMBL27734208 0.77 CA1 (0.39) HCAR2KEAP1NFE2L2TDP1
SCHEMBL27733994 0.77 CA1 (0.39) HCAR2KEAP1NFE2L2TDP1
SCHEMBL8712030 0.77 HCAR2 (0.48) HCAR2KEAP1NFE2L2ALDH1A1MAPT
SCHEMBL27839789 0.75 ALDH1A1 (0.37) HCAR2KEAP1NFE2L2ALDH1A1KDM4E
SCHEMBL365676 0.72 HCAR2 (0.43) HCAR2KEAP1NFE2L2MAPTLMNA
SCHEMBL12475705 0.72
SCHEMBL8519665 0.72 HCAR2 (0.43) HCAR2KEAP1NFE2L2MAPTLMNA
SCHEMBL18763355 0.72 ALDH1A1 (0.35) HCAR2KEAP1NFE2L2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5010083-A Cognition activator; Alzheimer*s disease HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1991-04-23 US claimed
US-5264575-A Reacting 1,3-benzodiazocine-8-ol derivative with lutidine/2,6-/, triisoproylsilyltrifluoro methane, formed intermediate reacted with lithium chloride, tetrabutylammonium fluoride and isocyanate HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-11-23 US disclosed
US-5097033-A Aminoethyl quinoline 2-ones, intermediates for analgesic, and cholinergic agents for memory disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-03-17 US disclosed
US-5010083-A Cognition activator; Alzheimer*s disease HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1991-04-23 US disclosed