SCHEMBL703334

SCHEMBL703334

Oc1ccc(C2OCCO2)c2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.50
L3MBTL1 Q9Y468 6/20 0.50
HSP90AA1 P07900 4/20 0.50
HTT P42858 4/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
IDO1 P14902 2/20 0.50
BRD4 O60885 2/20 0.50
METAP2 P50579 2/20 0.50
MPI P34949 1/20 0.50
METAP1 P53582 1/20 0.50
HSP90AB1 P08238 1/20 0.50
PSMB5 P28074 1/20 0.50
SLC6A2 P23975 1/20 0.50
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 3/20 0.47
ALOX12 P18054 2/20 0.47

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
SCHEMBL29856077 0.79 KDM4E (0.54) KDM4EL3MBTL1HSP90AA1HTTLMNA
SCHEMBL10110908 0.78 HTR1A (0.43) KDM4EHSP90AA1HTTLMNAMAPT
SCHEMBL17931872 0.75 COMT (0.55) KDM4EL3MBTL1HSP90AA1HTTLMNA
SCHEMBL1920452 0.73 KDM4E (0.70) KDM4EL3MBTL1HSP90AA1HTTLMNA
Methane SCHEMBL27551425 0.72 KDM4E (0.68) KDM4EL3MBTL1HSP90AA1HTTLMNA
SCHEMBL27816447 0.72 KDM4E (0.68) KDM4EL3MBTL1HSP90AA1HTTLMNA
SCHEMBL12600031 0.71 KDM4E (0.61) KDM4EL3MBTL1HSP90AA1HTTLMNA
Methane SCHEMBL28088738 0.70 KDM4E (0.66) KDM4EL3MBTL1HSP90AA1HTTLMNA
SCHEMBL31481274 0.70 KDM4E (0.74) KDM4EL3MBTL1HSP90AA1HTTLMNA
SCHEMBL30503296 0.69 ALDH1A1 (0.38) KDM4EL3MBTL1HSP90AA1HTTLMNA

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-8124368-B2 Fluorogenic protein kinase substrates Life Technologies Corporation (US) 2012-02-28 US disclosed
US-8124368-B2 Fluorogenic protein kinase substrates Life Technologies Corporation (US) 2012-02-28 US disclosed
US-8124368-B2 Fluorogenic protein kinase substrates Life Technologies Corporation (US) 2012-02-28 US disclosed
EP-2063915-A1 FLUOROGENIC PROTEIN KINASE SUBSTRATES Invitrogen Corporation (US) 2009-06-03 EP disclosed
WO-2008016762-A1 FLUOROGENIC PROTEIN KINASE SUBSTRATES INVITROGEN CORPORATION (US) 2008-02-07 WO disclosed
WO-2008016762-A1 FLUOROGENIC PROTEIN KINASE SUBSTRATES INVITROGEN CORPORATION (US) 2008-02-07 WO disclosed
US-20080009026-A1 FLUOROGENIC PROTEIN KINASE SUBSTRATES INVITROGEN CORPORATION (US) 2008-01-10 US disclosed
US-20080009026-A1 FLUOROGENIC PROTEIN KINASE SUBSTRATES INVITROGEN CORPORATION (US) 2008-01-10 US disclosed
US-20080009026-A1 FLUOROGENIC PROTEIN KINASE SUBSTRATES INVITROGEN CORPORATION (US) 2008-01-10 US disclosed