SCHEMBL9612917

SCHEMBL9612917

CC(=N)/C=C\C=C\c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.61
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
GLA P06280 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
TRPA1 O75762 1/20 0.46
ALOX5 P09917 1/20 0.46

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
SCHEMBL3174257 0.81 MAOB (0.58) MAOBHDAC3HDAC4HDAC1HDAC7
SCHEMBL31659079 0.81 MAOB (0.58) MAOBHDAC3HDAC4HDAC1HDAC7
SCHEMBL22529691 0.81 GLA (0.73) MAOBHDAC3HDAC4HDAC1HDAC7
SCHEMBL141554 0.81 GLA (0.73) MAOBHDAC3HDAC4HDAC1HDAC7
SCHEMBL10911551 0.81 GLA (0.73) MAOBHDAC3HDAC4HDAC1HDAC7
SCHEMBL1105479 0.81 GLA (0.73) MAOBHDAC3HDAC4HDAC1HDAC7
SCHEMBL1374180 0.79 GLA (0.70) MAOBHDAC3HDAC4HDAC1HDAC7
SCHEMBL15163748 0.79 HDAC3 (0.61) MAOBHDAC3HDAC4HDAC1HDAC7
SCHEMBL735374 0.79 GLA (0.70) MAOBHDAC3HDAC4HDAC1HDAC7
Acetone SCHEMBL11002206 0.79 GLA (0.70) MAOBHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012070535-A1 ELECTRON TRANSPORT MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME JNC株式会社 (JP) 2012-05-31 WO disclosed