SCHEMBL6160816

SCHEMBL6160816

COc1cc2c(Nc3ccc(/C=C/C(=O)NCc4ccco4)cc3)ncnc2cc1OCC(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 12/20 0.57
HDAC1 Q13547 12/20 0.57
HDAC6 Q9UBN7 12/20 0.57
HDAC4 P56524 9/20 0.53
HDAC7 Q8WUI4 9/20 0.53
HDAC2 Q92769 9/20 0.53
HDAC10 Q969S8 9/20 0.53
HDAC11 Q96DB2 9/20 0.53
HDAC8 Q9BY41 9/20 0.53
HDAC9 Q9UKV0 9/20 0.53
HDAC5 Q9UQL6 9/20 0.53
MAPK1 P28482 1/20 0.51
ABCG2 Q9UNQ0 4/20 0.51
ABCB1 P08183 3/20 0.49
KDR P35968 11/20 0.48

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
SCHEMBL6160828 1.00 HDAC3 (0.57) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL6162849 0.88 HDAC3 (0.57) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL6165549 0.88 HDAC3 (0.57) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL6163655 0.87 HDAC3 (0.62) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL6161811 0.87 HDAC3 (0.62) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL6165922 0.84 HDAC1 (0.71) HDAC3HDAC1HDAC6ABCG2ABCB1
SCHEMBL6165914 0.84 HDAC1 (0.71) HDAC3HDAC1HDAC6ABCG2ABCB1
SCHEMBL6165639 0.83 HDAC3 (0.57) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL6162959 0.83 HDAC3 (0.57) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL6160867 0.83 HDAC3 (0.57) HDAC3HDAC1HDAC6HDAC4HDAC7

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
EP-1218357-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-04-06 EP claimed