SCHEMBL29045793

SCHEMBL29045793

COc1ccc(NCCOCCOc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.60
▸ FOXM1 Q08050 1/20 0.55
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ BCHE P06276 1/20 0.52
▸ PPARG P37231 1/20 0.50
▸ F2 P00734 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ GRIN2B Q13224 1/20 0.49
▸ GAA P10253 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ CTSS P25774 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ AR P10275 1/20 0.47

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
SCHEMBL29986882 0.90 FOXM1 (0.61) APPFOXM1MEN1KMT2ABCHE
SCHEMBL29045855 0.87 FOXM1 (0.55) FOXM1MEN1KMT2ABCHEF2
SCHEMBL29986797 0.84 F2 (0.70) FOXM1MEN1KMT2AF2KCNH2
SCHEMBL29045841 0.80 FOXM1 (0.63) APPFOXM1MEN1KMT2ABCHE
SCHEMBL6852321 0.80 LMNA (0.64) APPFOXM1BCHEGAAMAPT
SCHEMBL866939 0.78 NPC1 (0.60) APPMEN1KMT2ABCHEGAA
SCHEMBL791985 0.78 MAOB (0.69) APPMEN1KMT2ABCHEGAA
SCHEMBL10411052 0.77 PPARG (0.73) MEN1KMT2APPARGGAAMAPT
SCHEMBL17890843 0.77 AR (0.59) MEN1KMT2ABCHEF2KCNH2
SCHEMBL29985574 0.76 FOXM1 (0.55) FOXM1BCHEF2KCNH2GRIN2B

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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