SCHEMBL28694502

SCHEMBL28694502

COc1ccc(-c2ccc3nnn(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
TUBB4A P04350 3/20 0.42
TUBB P07437 3/20 0.42
TUBA3C P0DPH7 3/20 0.42
TUBA1B P68363 3/20 0.42
TUBA4A P68366 3/20 0.42
TUBB4B P68371 3/20 0.42
TUBB3 Q13509 3/20 0.42
TUBB2A Q13885 3/20 0.42
TUBB8 Q3ZCM7 3/20 0.42

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
SCHEMBL30543457 0.91 L3MBTL1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28931528 0.90 KDM4E (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28694511 0.90 GALR3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28675563 0.89 TUBB4A (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30543462 0.89 NT5E (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28695292 0.89 NT5E (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28681677 0.89 MAPT (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28681671 0.89 FYN (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28681696 0.89 MAPT (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28676211 0.89 NT5E (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113929635-B 1, 6-diphenyl-1H-benzo [ d ] [1,2,3] triazole compound and preparation method and application thereof 沈阳药科大学 2023-08-22 CN claimed
CN-113929635-A 1, 6-diphenyl-1H-benzo [ d ] [1,2,3] triazole compound and preparation method and application thereof 沈阳药科大学 2022-01-14 CN claimed
CN-113929635-B 1, 6-diphenyl-1H-benzo [ d ] [1,2,3] triazole compound and preparation method and application thereof 沈阳药科大学 2023-08-22 CN disclosed
CN-113929635-A 1, 6-diphenyl-1H-benzo [ d ] [1,2,3] triazole compound and preparation method and application thereof 沈阳药科大学 2022-01-14 CN disclosed