SCHEMBL29045834

SCHEMBL29045834

c1ccc(COc2ccc(OCCCCCCNC3CCCC3)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.79
KMT2A Q03164 5/20 0.79
SMN1; SMN2 Q16637 3/20 0.79
FOXM1 Q08050 2/20 0.74
SLC2A1 P11166 1/20 0.65
ALDH1A1 P00352 6/20 0.64
MEN1 O00255 4/20 0.64
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
RAB9A P51151 3/20 0.51
NPC1 O15118 3/20 0.51
HTT P42858 1/20 0.51
LMNA P02545 1/20 0.49

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
SCHEMBL7374425 0.99 KDM4E (0.77) KDM4EKMT2ASMN1; SMN2FOXM1SLC2A1
Hydrochloric Acid SCHEMBL7372091 0.97 KDM4E (0.76) KDM4EKMT2ASMN1; SMN2FOXM1SLC2A1
SCHEMBL29045839 0.90 FOXM1 (0.85) KDM4EKMT2ASMN1; SMN2FOXM1SLC2A1
SCHEMBL29045813 0.85 FOXM1 (1.00) KDM4EKMT2ASMN1; SMN2FOXM1SLC2A1
SCHEMBL29045845 0.84 FOXM1 (0.97) KDM4EKMT2ASMN1; SMN2FOXM1SLC2A1
SCHEMBL29045785 0.84 FOXM1 (0.97) KDM4EKMT2ASMN1; SMN2FOXM1SLC2A1
SCHEMBL29045833 0.84 FOXM1 (0.97) KDM4EKMT2ASMN1; SMN2FOXM1SLC2A1
SCHEMBL29045824 0.83 FOXM1 (0.95) KDM4EKMT2ASMN1; SMN2FOXM1SLC2A1
SCHEMBL29045822 0.83 FOXM1 (0.95) KDM4EKMT2ASMN1; SMN2FOXM1SLC2A1
SCHEMBL29045847 0.81 FOXM1 (0.79) KDM4EKMT2ASMN1; SMN2FOXM1ALDH1A1

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