SCHEMBL30462595

SCHEMBL30462595

COc1ccc2c(c1)CC(Cc1ccc(Cl)cc1)C2=NOCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.44
▸ CYP24A1 Q07973 3/20 0.43
▸ CYP26A1 O43174 1/20 0.43
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 1/20 0.41
▸ TUBB3 Q13509 1/20 0.41
▸ TUBB2A Q13885 1/20 0.41
▸ TUBB8 Q3ZCM7 1/20 0.41
▸ TUBA3E Q6PEY2 1/20 0.41
▸ TUBA1A Q71U36 1/20 0.41
▸ TUBA1C Q9BQE3 1/20 0.41
▸ TUBB6 Q9BUF5 1/20 0.41
▸ TUBB2B Q9BVA1 1/20 0.41
▸ TUBB1 Q9H4B7 1/20 0.41
▸ ACHE P22303 4/20 0.38
▸ METAP1 P53582 2/20 0.38

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
SCHEMBL30462593 0.86 CYP19A1 (0.50) CYP19A1CYP24A1CYP26A1ACHEMETAP1
SCHEMBL30462589 0.82 CYP19A1 (0.50) CYP19A1CYP24A1CYP26A1ACHEMETAP1
SCHEMBL30462610 0.76 CYP19A1 (0.73) CYP19A1CYP24A1CYP26A1ACHEMETAP1
SCHEMBL5582493 0.76 CYP19A1 (0.73) CYP19A1CYP24A1CYP26A1ACHEMETAP1
SCHEMBL5582351 0.73 CYP19A1 (0.77) CYP19A1CYP24A1CYP26A1ACHEMETAP1
SCHEMBL8159828 0.69 CYP26A1 (0.78) CYP19A1CYP24A1CYP26A1ACHECYP27A1
SCHEMBL30667087 0.66 CYP19A1 (0.62) CYP19A1CYP24A1CYP26A1ACHEMETAP1
SCHEMBL7784427 0.66 CYP19A1 (0.62) CYP19A1CYP24A1CYP26A1ACHEMETAP1
SCHEMBL7245357 0.65 CYP24A1 (0.80) CYP19A1CYP24A1CYP26A1ACHECYP27A1
Hydrochloric Acid SCHEMBL2338476 0.65 ACHE (0.74) CYP19A1CYP24A1CYP26A1ACHEMETAP1

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-116283657-B Indenone derivative and synthetic method and application thereof 贵州大学 2024-08-20 — — CN disclosed
CN-116283657-A Indenone derivative and synthetic method and application thereof 贵州大学 2023-06-23 — — CN disclosed
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