SCHEMBL29045774

SCHEMBL29045774

c1ccc(COc2ccc(OCCOCCNc3ccncn3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ TP53 P04637 2/20 0.54
▸ FOXM1 Q08050 1/20 0.52
▸ F2 P00734 2/20 0.49
▸ GRIN2B Q13224 2/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ MAPK1 P28482 1/20 0.41

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 1.00 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ATP53FOXM1
SCHEMBL29985574 0.86 FOXM1 (0.55) SMN1; SMN2NPC1RAB9ATP53FOXM1
SCHEMBL29986797 0.84 F2 (0.70) SMN1; SMN2NPC1RAB9ATP53FOXM1
SCHEMBL29986882 0.79 FOXM1 (0.61) SMN1; SMN2NPC1RAB9ATP53FOXM1
SCHEMBL6852321 0.77 LMNA (0.64) SMN1; SMN2NPC1RAB9ATP53FOXM1
SCHEMBL29045836 0.76 FOXM1 (0.52) SMN1; SMN2NPC1RAB9ATP53FOXM1
SCHEMBL29045841 0.74 FOXM1 (0.63) SMN1; SMN2NPC1RAB9ATP53FOXM1
SCHEMBL29045793 0.73 APP (0.60) SMN1; SMN2NPC1RAB9ATP53FOXM1
SCHEMBL29045855 0.73 FOXM1 (0.55) SMN1; SMN2NPC1RAB9ATP53FOXM1
SCHEMBL1160957 0.72 HTT (0.64) SMN1; SMN2NPC1RAB9AF2GRIN2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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