SCHEMBL20885913

SCHEMBL20885913

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.60
▸ MEN1 O00255 6/20 0.60
▸ LMNA P02545 5/20 0.60
▸ MAPK1 P28482 5/20 0.60
▸ RECQL P46063 5/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ TDP1 Q9NUW8 4/20 0.60
▸ BLM P54132 4/20 0.60
▸ NSD2 O96028 3/20 0.60
▸ HTT P42858 3/20 0.60
▸ USP2 O75604 3/20 0.60
▸ NPC1 O15118 3/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ TP53 P04637 2/20 0.60
▸ ALOX15 P16050 2/20 0.60
▸ TOP2A P11388 2/20 0.60
▸ MTOR P42345 2/20 0.60
▸ EGFR P00533 2/20 0.60
▸ CSNK2A2 P19784 2/20 0.60
▸ CSNK2B P67870 2/20 0.60

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
SCHEMBL4212641 0.92 NSD2 (0.67) KMT2AMEN1LMNAMAPK1RECQL
Amentantrone SCHEMBL3273264 0.92 MEN1 (0.74) KMT2AMEN1LMNAMAPK1RECQL
Amentantrone SCHEMBL29580057 0.92 MEN1 (0.74) KMT2AMEN1LMNAMAPK1RECQL
Amentantrone SCHEMBL30390727 0.92 MEN1 (0.74) KMT2AMEN1LMNAMAPK1RECQL
SCHEMBL6665858 0.89 CYP19A1 (0.78) KMT2AMEN1LMNAMAPK1RECQL
SCHEMBL3917115 0.88 NSD2 (0.65) KMT2AMEN1LMNAMAPK1RECQL
SCHEMBL6665492 0.88 CYP19A1 (0.72) KMT2AMEN1LMNAMAPK1RECQL
SCHEMBL8428873 0.86 TOP2B (0.70) KMT2AMEN1LMNAMAPK1RECQL
Dimethylamine SCHEMBL28602840 0.84 NSD2 (0.60) KMT2AMEN1LMNAMAPK1RECQL
SCHEMBL497032 0.84 MEN1 (0.81) KMT2AMEN1LMNAMAPK1RECQL

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-10259946-B1 Sealing agents, methods of making and uses thereof James Hardie Technology Limited (IE) 2019-04-16 — — US disclosed
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