SCHEMBL29045802

SCHEMBL29045802

Fc1ccc(COc2ccc(OCCOCCNC3CCCC3)cc2)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FOXM1 Q08050 2/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ KDM4E B2RXH2 6/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.45
▸ MAOB P27338 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ KMT2A Q03164 1/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ HTR2C P28335 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ OPRL1 P41146 2/20 0.42
▸ TSHR P16473 1/20 0.40

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
SCHEMBL29045820 0.91 FOXM1 (0.61) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL29045791 0.86 FOXM1 (0.70) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL12204109 0.84 OPRL1 (0.50) FOXM1SMN1; SMN2KDM4EALDH1A1BACE1
SCHEMBL29045788 0.83 FOXM1 (0.77) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL29045816 0.82 FOXM1 (0.74) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL29985464 0.82 FOXM1 (0.74) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL29986109 0.81 FOXM1 (0.71) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL29045781 0.81 FOXM1 (0.71) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL29045854 0.80 FOXM1 (0.70) FOXM1SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL29045850 0.79 KDM4E (0.60) 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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