SCHEMBL9306822

SCHEMBL9306822

FC(F)(F)c1cc(N(CC2CO2)CC2CO2)ccc1Cc1ccc(N(CC2CO2)CC2CO2)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.36
CNR2 P34972 3/20 0.33
CNR1 P21554 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
POLQ O75417 2/20 0.31
LMNA P02545 1/20 0.31
IDO1 P14902 1/20 0.30
P2RX7 Q99572 1/20 0.30
CRHR1 P34998 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
SCHEMBL16864583 0.93 MEN1 (0.34) ARCNR2CNR1MEN1KMT2A
SCHEMBL19111891 0.93 AR (0.38) ARCNR2CNR1MEN1KMT2A
SCHEMBL16865621 0.91 AR (0.34) ARCNR2CNR1MEN1KMT2A
SCHEMBL26129056 0.84 POLB (0.38) ARCNR2CNR1MEN1KMT2A
SCHEMBL9320546 0.80 MEN1 (0.40) MEN1KMT2ALMNA
SCHEMBL10966965 0.78 USP2 (0.34) MEN1KMT2ALMNA
SCHEMBL10969213 0.78 MEN1 (0.33) MEN1KMT2ALMNA
SCHEMBL132721 0.74 MEN1 (0.43) MEN1KMT2ALMNA
SCHEMBL27781377 0.73 BACE1 (0.37) ARMEN1KMT2ALMNA
SCHEMBL9306800 0.72 AR (0.31) ARLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0076584-B1 EPOXY COMPOUNDS The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1985-12-18 EP claimed
US-4451645-A N,N-DIGLYCIDYLANILINE DERIVATIVES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1984-05-29 US claimed
EP-0076584-A1 Epoxy compounds The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1983-04-13 EP claimed
US-5283270-A Glycidyl diamines containing aromatic trifluoromethyl group and epoxy resins prepared therefrom OCCIDENTAL CHEMICAL CORPORATION (US) 1994-02-01 US disclosed
EP-0076584-B1 EPOXY COMPOUNDS The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1985-12-18 EP disclosed
US-4451645-A N,N-DIGLYCIDYLANILINE DERIVATIVES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1984-05-29 US disclosed
EP-0076584-A1 Epoxy compounds The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1983-04-13 EP disclosed