SCHEMBL29045791

SCHEMBL29045791

Fc1ccccc1COc1ccc(OCCOCCNC2CCCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOXM1 Q08050 2/20 0.70
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ KDM4E B2RXH2 6/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ MAOB P27338 3/20 0.45
▸ KDM1A O60341 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ SCN3A Q9NY46 4/20 0.44
▸ KCNH2 Q12809 3/20 0.44
▸ SCN1A P35498 1/20 0.44
▸ SCN4A P35499 1/20 0.44
▸ SCN7A Q01118 1/20 0.44
▸ SCN5A Q14524 1/20 0.44
▸ SCN9A Q15858 1/20 0.44
▸ SCN2A Q99250 1/20 0.44
▸ SCN8A Q9UQD0 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
SCHEMBL29045802 0.86 FOXM1 (0.61) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL29045820 0.86 FOXM1 (0.61) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL29045837 0.86 FOXM1 (0.70) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL29045787 0.86 FOXM1 (0.70) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL29045852 0.85 FOXM1 (0.69) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL29045860 0.84 FOXM1 (0.67) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL12204203 0.83 FOXM1 (0.49) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL29045813 0.83 FOXM1 (1.00) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL29045845 0.81 FOXM1 (0.97) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL29045785 0.81 FOXM1 (0.97) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6

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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