SCHEMBL13822029

SCHEMBL13822029

O=C1c2cccc(NCCNCCO)c2C(=O)c2c(O)ccc(O)c21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.74
▸ KMT2A Q03164 5/20 0.74
▸ LMNA P02545 5/20 0.74
▸ MAPK1 P28482 5/20 0.74
▸ SMN1; SMN2 Q16637 4/20 0.74
▸ TDP1 Q9NUW8 4/20 0.74
▸ RECQL P46063 3/20 0.74
▸ BLM P54132 3/20 0.74
▸ EGFR P00533 3/20 0.74
▸ HTT P42858 3/20 0.74
▸ USP2 O75604 2/20 0.74
▸ TP53 P04637 2/20 0.74
▸ NSD2 O96028 2/20 0.74
▸ TOP2A P11388 2/20 0.74
▸ ALOX15 P16050 2/20 0.74
▸ NPC1 O15118 2/20 0.74
▸ RAB9A P51151 2/20 0.74
▸ CSNK2A2 P19784 2/20 0.74
▸ CSNK2B P67870 2/20 0.74
▸ CSNK2A1 P68400 2/20 0.74

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
Hydrochloric Acid SCHEMBL11044463 0.99 MEN1 (0.75) MEN1KMT2ALMNAMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL4191340 0.99 MEN1 (0.75) MEN1KMT2ALMNAMAPK1SMN1; SMN2
SCHEMBL3917115 0.92 NSD2 (0.65) MEN1KMT2ALMNAMAPK1SMN1; SMN2
Amentantrone SCHEMBL30390727 0.89 MEN1 (0.74) MEN1KMT2ALMNAMAPK1SMN1; SMN2
Amentantrone SCHEMBL29580057 0.89 MEN1 (0.74) MEN1KMT2ALMNAMAPK1SMN1; SMN2
Amentantrone SCHEMBL3273264 0.89 MEN1 (0.74) MEN1KMT2ALMNAMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL10961519 0.88 NQO1 (0.69) MEN1KMT2ALMNAMAPK1SMN1; SMN2
Dimethylamine SCHEMBL28602840 0.88 NSD2 (0.60) MEN1KMT2ALMNAMAPK1SMN1; SMN2
SCHEMBL18567079 0.88 TOP2B (0.86) MEN1KMT2ALMNAMAPK1SMN1; SMN2
SCHEMBL29843940 0.87 TOP2B (0.81) MEN1KMT2ALMNAMAPK1SMN1; SMN2

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
US-7553816-B2 p-amidobenzylethers in drug delivery agents SEATTLE GENETICS, INC. (US) 2009-06-30 — — US disclosed
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