SCHEMBL29045860

SCHEMBL29045860

COc1ccccc1COc1ccc(OCCOCCNC2CCCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FOXM1 Q08050 2/20 0.67
▸ ALDH1A1 P00352 6/20 0.58
▸ KDM4E B2RXH2 6/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL29045796 0.90 FOXM1 (0.65) FOXM1ALDH1A1KDM4ESMN1; SMN2CYP1A2
SCHEMBL29045850 0.88 KDM4E (0.60) FOXM1ALDH1A1KDM4ESMN1; SMN2CYP1A2
SCHEMBL29045787 0.86 FOXM1 (0.70) FOXM1ALDH1A1KDM4ESMN1; SMN2CYP1A2
SCHEMBL29045837 0.84 FOXM1 (0.70) FOXM1ALDH1A1KDM4ESMN1; SMN2CYP1A2
SCHEMBL29045791 0.84 FOXM1 (0.70) FOXM1ALDH1A1KDM4ESMN1; SMN2CYP1A2
SCHEMBL29045852 0.83 FOXM1 (0.69) FOXM1ALDH1A1KDM4ESMN1; SMN2CYP1A2
SCHEMBL29045851 0.81 FOXM1 (0.77) FOXM1ALDH1A1KDM4ESMN1; SMN2CYP1A2
SCHEMBL29045813 0.81 FOXM1 (1.00) FOXM1ALDH1A1KDM4ESMN1; SMN2CYP1A2
SCHEMBL29045785 0.80 FOXM1 (0.97) FOXM1ALDH1A1KDM4ESMN1; SMN2CYP1A2
SCHEMBL29045845 0.80 FOXM1 (0.97) FOXM1ALDH1A1KDM4ESMN1; SMN2CYP1A2

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
Send feedback