SCHEMBL29045801

SCHEMBL29045801

Brc1ccc(COc2ccc(OCCOCCNC3CCCC3)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOXM1 Q08050 2/20 0.79
SMN1; SMN2 Q16637 3/20 0.63
KDM4E B2RXH2 6/20 0.55
KMT2A Q03164 2/20 0.55
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.46
APP P05067 3/20 0.46
KDM1A O60341 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL29045845 0.90 FOXM1 (0.97) FOXM1SMN1; SMN2KDM4EKMT2ACYP1A2
SCHEMBL29045824 0.89 FOXM1 (0.95) FOXM1SMN1; SMN2KDM4EKMT2ACYP1A2
SCHEMBL29045805 0.89 FOXM1 (0.77) FOXM1SMN1; SMN2KDM4EKMT2ACYP1A2
SCHEMBL29045862 0.89 FOXM1 (0.98) FOXM1SMN1; SMN2KDM4EKMT2ACYP1A2
SCHEMBL29045788 0.89 FOXM1 (0.77) FOXM1SMN1; SMN2KDM4EKMT2ACYP1A2
SCHEMBL29045851 0.89 FOXM1 (0.77) FOXM1SMN1; SMN2KDM4EKMT2ACYP1A2
SCHEMBL29045813 0.88 FOXM1 (1.00) FOXM1SMN1; SMN2KDM4EKMT2ACYP1A2
SCHEMBL29045785 0.87 FOXM1 (0.97) FOXM1SMN1; SMN2KDM4EKMT2ACYP1A2
SCHEMBL29045833 0.87 FOXM1 (0.97) FOXM1SMN1; SMN2KDM4EKMT2ACYP1A2
SCHEMBL29045822 0.86 FOXM1 (0.95) FOXM1SMN1; SMN2KDM4EKMT2ACYP1A2

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