SCHEMBL29045854

SCHEMBL29045854

Clc1ccc(COc2ccc(OCCOCCNC3CCCC3)cc2)c(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOXM1 Q08050 2/20 0.70
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ KDM4E B2RXH2 4/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ NR4A2 P43354 1/20 0.45
▸ FFAR1 O14842 6/20 0.45
▸ PPARG P37231 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ S1PR1 P21453 1/20 0.43
▸ LTK P29376 1/20 0.43
▸ TAOK1 Q7L7X3 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
SCHEMBL29045827 0.91 FOXM1 (0.70) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL29045837 0.86 FOXM1 (0.70) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL29045852 0.85 FOXM1 (0.69) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL29045862 0.83 FOXM1 (0.98) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL29985851 0.82 FOXM1 (0.74) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL29045821 0.82 FOXM1 (0.74) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL29045840 0.81 FOXM1 (0.75) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL29985698 0.81 FOXM1 (0.75) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL29045802 0.80 FOXM1 (0.61) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL29045820 0.80 FOXM1 (0.61) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6

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
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