SCHEMBL29045847

SCHEMBL29045847

c1ccc(COc2ccc(OCCOCNC3CCCC3)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOXM1 Q08050 2/20 0.79
KDM4E B2RXH2 5/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
KMT2A Q03164 2/20 0.67
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 1/20 0.54
RAB9A P51151 2/20 0.48
LTA4H P09960 1/20 0.48
HPGD P15428 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HTT P42858 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 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
SCHEMBL29045813 0.88 FOXM1 (1.00) FOXM1KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL29045845 0.87 FOXM1 (0.97) FOXM1KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL29045833 0.87 FOXM1 (0.97) FOXM1KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL29045785 0.87 FOXM1 (0.97) FOXM1KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL29045824 0.86 FOXM1 (0.95) FOXM1KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL29045822 0.85 FOXM1 (0.95) FOXM1KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL29045839 0.85 FOXM1 (0.85) FOXM1KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL29045778 0.82 FOXM1 (0.90) FOXM1KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL29045834 0.81 KDM4E (0.79) FOXM1KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL29045798 0.81 FOXM1 (0.66) FOXM1KDM4ESMN1; SMN2KMT2AALDH1A1

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