SCHEMBL29986797

SCHEMBL29986797

c1ccc(COc2ccc(OCCOCCNc3ccncc3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 9/20 0.70
▸ KCNH2 Q12809 1/20 0.70
▸ GRIN2B Q13224 1/20 0.70
▸ FOXM1 Q08050 1/20 0.55
▸ TP53 P04637 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ MAPT P10636 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ LTA4H P09960 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CTSL P07711 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ CTSK P43235 1/20 0.45

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) F2KCNH2GRIN2BFOXM1TP53
SCHEMBL29045855 0.84 FOXM1 (0.55) F2KCNH2GRIN2BFOXM1TP53
SCHEMBL29045793 0.84 APP (0.60) F2KCNH2GRIN2BFOXM1TP53
SCHEMBL29045774 0.84 SMN1; SMN2 (0.54) F2KCNH2GRIN2BFOXM1TP53
SCHEMBL29985926 0.84 SMN1; SMN2 (0.54) F2KCNH2GRIN2BFOXM1TP53
SCHEMBL29985574 0.82 FOXM1 (0.55) F2KCNH2GRIN2BFOXM1TP53
SCHEMBL6672805 0.80 F2 (0.68) F2KCNH2GRIN2B
SCHEMBL12443081 0.80 F2 (0.89) F2KCNH2GRIN2BTP53SMN1; SMN2
SCHEMBL6852321 0.80 LMNA (0.64) FOXM1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL7316316 0.79 F2 (1.00) F2KCNH2GRIN2BTP53RAB9A

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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