SCHEMBL7629265

SCHEMBL7629265

O=C(/C=C/c1ccc(F)c(Br)c1)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.57
▸ MAOA P21397 4/20 0.57
▸ VCP P55072 1/20 0.50
▸ PRMT1 Q99873 1/20 0.42
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ HDAC3 O15379 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC11 Q96DB2 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC5 Q9UQL6 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL7629273 1.00 MAOB (0.57) MAOBMAOAVCPPRMT1AKR1C3
SCHEMBL17157564 0.88 MAOB (0.52) MAOBMAOAVCPPRMT1AKR1C3
SCHEMBL17157566 0.88 MAOB (0.52) MAOBMAOAVCPPRMT1AKR1C3
SCHEMBL290718 0.81 AKR1C3 (0.62) MAOBMAOAVCPPRMT1AKR1C3
SCHEMBL290719 0.81 AKR1C3 (0.62) MAOBMAOAVCPPRMT1AKR1C3
SCHEMBL17157614 0.80 MAOB (0.59) MAOBMAOAVCPPRMT1AKR1C3
SCHEMBL8149850 0.80 MAOB (0.57) MAOBMAOAVCPPRMT1AKR1C3
SCHEMBL8149848 0.80 MAOB (0.57) MAOBMAOAVCPPRMT1AKR1C3
SCHEMBL17157612 0.80 MAOB (0.59) MAOBMAOAVCPPRMT1AKR1C3
SCHEMBL31528750 0.79 MAOB (0.56) MAOBMAOAVCPPRMT1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 — — EP disclosed
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 — — WO disclosed
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