SCHEMBL8190109

SCHEMBL8190109

O=C(/C=C/c1cnc(NCC(=O)NCc2ccc(F)cc2)c(I)c1)NO

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.46
HDAC3 O15379 7/20 0.46
HDAC8 Q9BY41 6/20 0.46
HDAC4 P56524 8/20 0.45
MEF2D Q14814 3/20 0.45
HDAC1 Q13547 10/20 0.44
GSK3B P49841 1/20 0.44
HDAC2 Q92769 6/20 0.43
HDAC7 Q8WUI4 5/20 0.43
HDAC10 Q969S8 5/20 0.43
HDAC11 Q96DB2 5/20 0.43
HDAC9 Q9UKV0 5/20 0.43
HDAC5 Q9UQL6 5/20 0.43
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
NCOR2 Q9Y618 1/20 0.40
KDM1A O60341 1/20 0.40

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
SCHEMBL8187060 0.90 HDAC1 (0.52) HDAC6HDAC3HDAC8HDAC4MEF2D
SCHEMBL13429151 0.88 HDAC6 (0.46) HDAC6HDAC3HDAC8HDAC4MEF2D
SCHEMBL8179581 0.85 CA12 (0.44) HPGD
SCHEMBL8190118 0.80 HDAC1 (0.40) HDAC6HDAC3HDAC8HDAC4MEF2D
SCHEMBL8182903 0.80 KDM4E (0.37) HDAC6HDAC3HDAC8HDAC4HDAC1
SCHEMBL8184323 0.80 CA12 (0.45) HPGD
SCHEMBL13429156 0.78 HDAC1 (0.52) HDAC6HDAC3HDAC8HDAC4MEF2D
SCHEMBL13428572 0.78 AKR1C3 (0.44) GSK3BKDM4EHPGD
SCHEMBL8194299 0.78 KMT2A (0.48) HDAC6HDAC3HDAC8HDAC4MEF2D
SCHEMBL8182974 0.74 P2RY12 (0.50) KDM4EHPGD

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-2008075757-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2008-06-26 WO disclosed