SCHEMBL29045830

SCHEMBL29045830

COc1cccc(COc2ccc(OCCOCCNC3CCCC3)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FOXM1 Q08050 2/20 0.73
▸ KDM4E B2RXH2 6/20 0.60
▸ ALDH1A1 P00352 4/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ KMT2A Q03164 1/20 0.52
▸ MAOB P27338 3/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ BCHE P06276 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ HTT P42858 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
SCHEMBL29985891 1.00 FOXM1 (0.73) FOXM1KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL29045773 0.88 FOXM1 (0.74) FOXM1KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL29986250 0.88 FOXM1 (0.74) FOXM1KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL29045851 0.87 FOXM1 (0.77) FOXM1KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL29045816 0.85 FOXM1 (0.74) FOXM1KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL29045821 0.85 FOXM1 (0.74) FOXM1KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL29985464 0.85 FOXM1 (0.74) FOXM1KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL29985851 0.85 FOXM1 (0.74) FOXM1KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL29045813 0.85 FOXM1 (1.00) FOXM1KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL29045833 0.83 FOXM1 (0.97) FOXM1KDM4EALDH1A1SMN1; SMN2KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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