SCHEMBL30462589

SCHEMBL30462589

COc1ccc2c(c1)CC(Cc1ccc(Cl)cc1)C2=NO

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.50
▸ CYP26A1 O43174 2/20 0.46
▸ CYP24A1 Q07973 1/20 0.46
▸ METAP1 P53582 2/20 0.43
▸ SIGMAR1 Q99720 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ACHE P22303 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ APP P05067 1/20 0.38
▸ SNCA P37840 1/20 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 0.88 CYP19A1 (0.50) CYP19A1CYP26A1CYP24A1METAP1ALDH1A1
SCHEMBL30462595 0.82 CYP19A1 (0.44) CYP19A1CYP26A1CYP24A1METAP1ALDH1A1
SCHEMBL30462610 0.81 CYP19A1 (0.73) CYP19A1CYP26A1CYP24A1METAP1ACHE
SCHEMBL5582493 0.81 CYP19A1 (0.73) CYP19A1CYP26A1CYP24A1METAP1ACHE
SCHEMBL8159828 0.72 CYP26A1 (0.78) CYP19A1CYP26A1CYP24A1SIGMAR1ACHE
SCHEMBL3843107 0.70 METAP1 (0.48) CYP19A1METAP1ALDH1A1CYP1A2CYP2C9
SCHEMBL3843106 0.70 METAP1 (0.48) CYP19A1METAP1ALDH1A1CYP1A2CYP2C9
SCHEMBL5582351 0.69 CYP19A1 (0.77) CYP19A1CYP26A1CYP24A1METAP1ACHE
SCHEMBL6378154 0.67 CYP19A1 (1.00) CYP19A1CYP26A1CYP24A1METAP1
SCHEMBL6192497 0.65 ALDH1A1 (0.55) CYP19A1METAP1ALDH1A1CYP1A2CYP2C9

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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