SCHEMBL13634331

SCHEMBL13634331

O=C(O)c1coc(N2CC(Oc3ncccn3)C2)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
TTR P02766 2/20 0.34
KDM4E B2RXH2 2/20 0.32
CYP2C19 P33261 1/20 0.32
ITGAL P20701 1/20 0.32
ACACB O00763 2/20 0.31
LMNA P02545 2/20 0.31
NAPRT Q6XQN6 1/20 0.31
P4HTM Q9NXG6 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
PDE10A Q9Y233 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL13634225 0.90 EPHX2 (0.38) EPHX2TTRKDM4ECYP2C19ACACB
SCHEMBL13163108 0.88 EPHX2 (0.42) EPHX2TTRKDM4ECYP2C19ACACB
SCHEMBL15888602 0.83 HCRTR1 (0.43) KDM4EACACBL3MBTL1PDE10AMEN1
SCHEMBL13162352 0.81 EPHX2 (0.36) EPHX2CYP2C19PDE10A
SCHEMBL13634226 0.80 KDM4E (0.35) EPHX2TTRKDM4ECYP2C19KMT2A
SCHEMBL13638977 0.80 KDM4E (0.35) EPHX2TTRKDM4ECYP2C19KMT2A
SCHEMBL13162789 0.80 RIPK1 (0.36) TTRKDM4EITGALLMNAL3MBTL1
SCHEMBL13634347 0.77 KDM5A (0.44) EPHX2TTRACACBPDE10A
SCHEMBL13162582 0.76 IRAK4 (0.36) KDM4EITGALGSK3BDYRK1A
SCHEMBL13634366 0.75 PDE9A (0.30)

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed