SCHEMBL12132491

SCHEMBL12132491

CN(C)c1ccc(C(=O)OCCN2CCCCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.70
▸ MEN1 O00255 2/20 0.70
▸ CYP2D6 P10635 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.55
▸ ATM Q13315 1/20 0.52
▸ HRH3 Q9Y5N1 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ HPGD P15428 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ PSMB1 P20618 1/20 0.49
▸ PSMB5 P28074 1/20 0.49
▸ PSMB2 P49721 1/20 0.49
▸ NPC1 O15118 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48

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
SCHEMBL12132530 0.93 KMT2A (0.58) KMT2AMEN1CYP2D6NPSR1ATM
SCHEMBL12132513 0.89 KMT2A (0.55) KMT2AMEN1CYP2D6NPSR1ATM
SCHEMBL14066338 0.84 KMT2A (0.76) KMT2AMEN1CYP2D6NPSR1ATM
SCHEMBL14106811 0.82 KMT2A (1.00) KMT2AMEN1CYP2D6NPSR1ATM
SCHEMBL501910 0.82 KMT2A (0.72) KMT2AMEN1CYP2D6NPSR1HRH3
SCHEMBL21705256 0.81 KMT2A (0.76) KMT2AMEN1CYP2D6NPSR1ATM
SCHEMBL501868 0.81 KMT2A (0.75) KMT2AMEN1CYP2D6NPSR1KDM4E
SCHEMBL26814906 0.81 KMT2A (0.70) KMT2AMEN1CYP2D6NPSR1ATM
Hydrochloric Acid SCHEMBL11644656 0.80 KMT2A (0.74) KMT2AMEN1CYP2D6NPSR1ATM
SCHEMBL16202965 0.80 KMT2A (0.74) KMT2AMEN1CYP2D6NPSR1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063115-B2 Radiation curable compositions AGFA GRAPHICS NV (BE) 2011-11-22 — — US disclosed
US-8063115-B2 Radiation curable compositions AGFA GRAPHICS NV (BE) 2011-11-22 — — US disclosed
EP-1927632-B1 Novel radiation curable compositions AGFA GRAPHICS NV (BE) 2010-08-18 — — EP disclosed
US-20090326091-A1 NOVEL RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2009-12-31 — — US disclosed
US-20090326091-A1 NOVEL RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2009-12-31 — — US disclosed
EP-1927632-A1 Novel radiation curable compositions Agfa Graphics N.V. (BE) 2008-06-04 — — EP disclosed
WO-2008061957-A1 NOVEL RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2008-05-29 — — WO disclosed
WO-2008061954-A1 NOVEL CO-INITIATORS AGFA GRAPHICS NV (BE) 2008-05-29 — — WO disclosed
EP-1925609-A1 Novel-co-initiators Agfa Graphics N.V. (BE) 2008-05-28 — — EP disclosed
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