SCHEMBL29985574

SCHEMBL29985574

c1ccc(COc2ccc(OCCOCCNc3ccccn3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOXM1 Q08050 1/20 0.55
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ FABP1 P07148 1/20 0.48
▸ FABP6 P51161 1/20 0.48
▸ ITGB3 P05106 5/20 0.47
▸ ITGAV P06756 5/20 0.47
▸ ITGB1 P05556 4/20 0.47
▸ ITGB5 P18084 2/20 0.47
▸ ITGB6 P18564 2/20 0.47
▸ F2 P00734 2/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ GRIN2B Q13224 1/20 0.46
▸ ITGA5 P08648 1/20 0.44
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNB4 P30926 1/20 0.44
▸ CHRNA3 P32297 1/20 0.44
▸ CHRNA7 P36544 1/20 0.44

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
SCHEMBL29985926 0.86 SMN1; SMN2 (0.54) FOXM1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL29045774 0.86 SMN1; SMN2 (0.54) FOXM1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL29986882 0.82 FOXM1 (0.61) FOXM1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL29986797 0.82 F2 (0.70) FOXM1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6852321 0.80 LMNA (0.64) FOXM1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL29045836 0.79 FOXM1 (0.52) FOXM1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL29045841 0.77 FOXM1 (0.63) FOXM1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL29045793 0.76 APP (0.60) FOXM1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL29045855 0.76 FOXM1 (0.55) FOXM1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL29045806 0.75 FOXM1 (0.54) FOXM1NPC1RAB9ASMN1; SMN2TP53

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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