SCHEMBL29045850

SCHEMBL29045850

COc1ccc(COc2ccc(OCCOCCNC3CCCC3)cc2)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.60
▸ FOXM1 Q08050 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ TSHR P16473 1/20 0.46
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ APLNR P35414 1/20 0.40

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
SCHEMBL29045860 0.88 FOXM1 (0.67) KDM4EFOXM1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL29045796 0.84 FOXM1 (0.65) KDM4EFOXM1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL29045851 0.82 FOXM1 (0.77) KDM4EFOXM1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL29985891 0.82 FOXM1 (0.73) KDM4EFOXM1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL29045777 0.82 FOXM1 (0.66) KDM4EFOXM1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL29045797 0.82 FOXM1 (0.66) KDM4EFOXM1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL29045830 0.82 FOXM1 (0.73) KDM4EFOXM1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL29986120 0.82 FOXM1 (0.66) KDM4EFOXM1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL29045854 0.79 FOXM1 (0.70) KDM4EFOXM1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL29045787 0.78 FOXM1 (0.70) KDM4EFOXM1SMN1; SMN2CYP1A2CYP2D6

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-115304502-B FOXM1 inhibitor and preparation method and application thereof 中国医学科学院医药生物技术研究所 2024-10-18 — — CN disclosed
CN-115304502-A FOXM1 inhibitor and preparation method and application thereof 中国医学科学院医药生物技术研究所 2022-11-08 — — CN disclosed
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