SCHEMBL29045798

SCHEMBL29045798

c1ccc(COc2ccc(OCCONC3CCCC3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOXM1 Q08050 2/20 0.66
KDM4E B2RXH2 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
KMT2A Q03164 2/20 0.60
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 2/20 0.50
LTA4H P09960 1/20 0.50
MEN1 O00255 1/20 0.50
BCHE P06276 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HPGD P15428 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL29045839 0.81 FOXM1 (0.85) FOXM1KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL29045847 0.81 FOXM1 (0.79) FOXM1KDM4ESMN1; SMN2KMT2ARAB9A
SCHEMBL3411535 0.80 KMT2A (0.47) FOXM1KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL29045813 0.80 FOXM1 (1.00) FOXM1KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL29045845 0.79 FOXM1 (0.97) FOXM1KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL29045833 0.79 FOXM1 (0.97) FOXM1KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL29045785 0.79 FOXM1 (0.97) FOXM1KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL4480785 0.78 EPHX2 (0.49) FOXM1SMN1; SMN2KMT2ARAB9AALDH1A1
SCHEMBL29045834 0.78 KDM4E (0.79) FOXM1KDM4ESMN1; SMN2KMT2ARAB9A
SCHEMBL321228 0.78 FOXM1 (0.63) FOXM1KDM4ESMN1; SMN2KMT2ARAB9A

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