SCHEMBL7861533

SCHEMBL7861533

COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1OCCc1nc[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.49
TNF P01375 3/20 0.47
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
KMT2A Q03164 4/20 0.35
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL664005 0.85 HDAC6 (0.55) HDAC6TNFHDAC3HDAC4HDAC1
SCHEMBL5562061 0.85 HDAC6 (0.55) HDAC6TNFHDAC3HDAC4HDAC1
SCHEMBL7848577 0.84 HDAC6 (0.48) HDAC6TNFHDAC3HDAC4HDAC1
SCHEMBL2922474 0.84 TNF (0.54) HDAC6TNFHDAC3HDAC4HDAC1
SCHEMBL4376874 0.83 HDAC6 (0.53) HDAC6TNFHDAC3HDAC4HDAC1
SCHEMBL7210734 0.83 HDAC6 (0.53) HDAC6TNFHDAC3HDAC4HDAC1
SCHEMBL4381827 0.81 HDAC6 (0.51) HDAC6TNFHDAC3HDAC4HDAC1
SCHEMBL4378142 0.81 HDAC6 (0.48) HDAC6TNFHDAC3HDAC4HDAC1
SCHEMBL7205402 0.81 HDAC6 (0.51) HDAC6TNF
SCHEMBL7452615 0.81 HDAC6 (0.50) HDAC6TNFHDAC3HDAC4HDAC1

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-0873319-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-07-25 EP disclosed