SCHEMBL16463988

SCHEMBL16463988

COC(=O)c1ccc2c(c1)nc(Nc1ccccc1)n2CCCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 2/20 0.77
▸ EHMT1 Q9H9B1 1/20 0.61
▸ KIF11 P52732 3/20 0.54
▸ DRD2 P14416 1/20 0.52
▸ TBXA2R P21731 1/20 0.52
▸ HDAC6 Q9UBN7 3/20 0.52
▸ ITK Q08881 2/20 0.52
▸ CNR2 P34972 3/20 0.51
▸ GAA P10253 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ OPRM1 P35372 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ MC4R P32245 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
SCHEMBL29349799 0.87 EHMT2 (1.00) EHMT2EHMT1ITKKDM4E
SCHEMBL16569005 0.87 EHMT2 (1.00) EHMT2EHMT1ITKKDM4E
SCHEMBL21437365 0.84 EHMT2 (0.71) EHMT2EHMT1HDAC6ITKKDM4E
SCHEMBL13983230 0.80 EHMT2 (0.53) EHMT2KIF11DRD2TBXA2RITK
SCHEMBL5318309 0.78 HDAC6 (0.76) EHMT2EHMT1HDAC6KDM4EHDAC1
SCHEMBL5359797 0.76 ADORA2A (0.63) EHMT2ITK
SCHEMBL2725703 0.76 DRD2 (0.53) EHMT2KIF11DRD2TBXA2RHDAC6
SCHEMBL25302284 0.76 EHMT2 (1.00) EHMT2EHMT1HDAC6ITKKDM4E
SCHEMBL12707154 0.74 EHMT2 (0.57) EHMT2EHMT1HDAC6ITKKDM4E
SCHEMBL21437350 0.74 EHMT2 (0.65) EHMT2EHMT1HDAC6ITKKDM4E

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
EP-2906602-A1 TRANSCRIPTION ACTIVATOR-LIKE EFFECTOR (TALE) - LYSINE-SPECIFIC DEMETHYLASE 1 (LSD1) FUSION PROTEINS The General Hospital Corporation (US) 2015-08-19 — — EP disclosed
WO-2014059255-A1 TRANSCRIPTION ACTIVATOR-LIKE EFFECTOR (TALE) - LYSINE-SPECIFIC DEMETHYLASE 1 (LSD1) FUSION PROTEINS THE GENERAL HOSPITAL CORPORATION (US) 2014-04-17 — — WO disclosed
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