SCHEMBL29153409

SCHEMBL29153409

COc1cc2ncnc(Oc3ccc4c(C(=O)NC(C)C)c(C)oc4c3)c2cc1OCc1ccc(C=CC(=O)NO)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 12/20 0.64
▸ FLT4 P35916 6/20 0.64
▸ FLT1 P17948 3/20 0.64
▸ HDAC3 O15379 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ MET P08581 3/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ TEK Q02763 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL29153406 1.00 KDR (0.64) KDRFLT4FLT1HDAC3HDAC1
SCHEMBL30753471 1.00 KDR (0.64) KDRFLT4FLT1HDAC3HDAC1
SCHEMBL29153413 0.92 KDR (0.64) KDRFLT4FLT1HDAC3HDAC1
SCHEMBL29153411 0.92 KDR (0.64) KDRFLT4FLT1HDAC3HDAC1
SCHEMBL30753466 0.92 KDR (0.64) KDRFLT4FLT1HDAC3HDAC1
SCHEMBL30753477 0.90 KDR (0.68) KDRFLT4FLT1METAURKA
SCHEMBL29153400 0.90 KDR (0.68) KDRFLT4FLT1METAURKA
SCHEMBL29153397 0.90 KDR (0.56) KDRFLT4FLT1HDAC3HDAC1
SCHEMBL29153403 0.90 KDR (0.56) KDRFLT4FLT1HDAC3HDAC1
SCHEMBL11931698 0.87 KDR (0.83) KDRFLT4FLT1METAURKA

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
CN-117285518-A Quinazoline derivative containing benzofuran structure and application thereof 华侨大学 2023-12-26 — — CN claimed
CN-117285518-A Quinazoline derivative containing benzofuran structure and application thereof 华侨大学 2023-12-26 — — CN disclosed
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