SCHEMBL29033615

SCHEMBL29033615

COc1ccc(C(=O)c2nc3cc(OC)c(OC)c(OC)c3c(=O)[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.59
▸ TUBB4A P04350 2/20 0.51
▸ TUBB P07437 2/20 0.51
▸ TUBA3C P0DPH7 2/20 0.51
▸ TUBA1B P68363 2/20 0.51
▸ TUBA4A P68366 2/20 0.51
▸ TUBB4B P68371 2/20 0.51
▸ TUBB3 Q13509 2/20 0.51
▸ TUBB2A Q13885 2/20 0.51
▸ TUBB8 Q3ZCM7 2/20 0.51
▸ TUBA3E Q6PEY2 2/20 0.51
▸ TUBA1A Q71U36 2/20 0.51
▸ TUBA1C Q9BQE3 2/20 0.51
▸ TUBB6 Q9BUF5 2/20 0.51
▸ TUBB2B Q9BVA1 2/20 0.51
▸ TUBB1 Q9H4B7 2/20 0.51
▸ ESR1 P03372 1/20 0.46
▸ PDE10A Q9Y233 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 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
SCHEMBL29033632 0.89 BRD4 (0.54) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30498919 0.88 CYP1A2 (0.48) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30498918 0.88 CYP1A2 (0.48) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29033612 0.88 CYP1A2 (0.48) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29033613 0.88 TUBB1 (0.43) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30498908 0.86 TUBB1 (0.53) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29033619 0.86 TUBB1 (0.53) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29033631 0.86 BRD4 (0.43) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30498924 0.85 ALDH1A1 (0.51) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30498917 0.85 MAPK1 (0.44) BRD4TUBB4ATUBBTUBA3CTUBA1B

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
CN-116444443-A Benzoyl-quinazolinone derivative, and preparation method and application thereof 广东省中医院(广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院) 2023-07-18 — — CN disclosed
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