SCHEMBL29038271

SCHEMBL29038271

O=C1/C(=C/c2ccc(Cl)cc2)Cc2c(Cl)cccc21

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.55
MAOA P21397 3/20 0.52
CYP19A1 P11511 4/20 0.51
TNF P01375 2/20 0.50
MIF P14174 2/20 0.46
AKR1C3 P42330 1/20 0.44
AKR1C1 Q04828 1/20 0.44

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
SCHEMBL29038273 1.00 MAOB (0.55) MAOBMAOACYP19A1TNFMIF
SCHEMBL29038235 0.88 MAOB (0.52) MAOBMAOACYP19A1TNFMIF
SCHEMBL29038239 0.88 MAOB (0.52) MAOBMAOACYP19A1TNFMIF
SCHEMBL29038249 0.85 TUBB4A (0.57) MAOBMAOACYP19A1MIF
SCHEMBL29038253 0.85 TUBB4A (0.57) MAOBMAOACYP19A1MIF
SCHEMBL3698777 0.78 MAOB (0.76) MAOBMAOACYP19A1TNFMIF
SCHEMBL18290547 0.78 MAOB (0.76) MAOBMAOACYP19A1TNFMIF
SCHEMBL3698773 0.78 MAOB (0.76) MAOBMAOACYP19A1TNFMIF
SCHEMBL9272968 0.74 CES1 (0.44) MAOBMAOA
SCHEMBL11507913 0.74 KDM4E (0.58) MAOBMAOACYP19A1TNF

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