SCHEMBL13634226

SCHEMBL13634226

O=C(O)c1coc(N2CC[C@H](Oc3ncccn3)[C@H](F)C2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
CYP2C19 P33261 1/20 0.35
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CTSC P53634 1/20 0.33
CTSF Q9UBX1 1/20 0.33
RBP4 P02753 3/20 0.33
TTR P02766 3/20 0.33
IDH1 O75874 1/20 0.32
HCRTR2 O43614 3/20 0.31
KMT2A Q03164 1/20 0.31
CHRM3 P20309 1/20 0.31
IRAK4 Q9NWZ3 3/20 0.31
RORC P51449 1/20 0.30
HCRTR1 O43613 1/20 0.30
EPHX2 P34913 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
SCHEMBL13638977 1.00 KDM4E (0.35) KDM4ECYP2C19CTSVCTSLCTSB
SCHEMBL15888555 0.86 HCRTR2 (0.43) KDM4EIDH1HCRTR2KMT2AHCRTR1
SCHEMBL13634225 0.85 EPHX2 (0.38) KDM4ECYP2C19RBP4TTREPHX2
SCHEMBL13634787 0.84 HCAR2 (0.40) KDM4EKMT2AIRAK4
SCHEMBL13270803 0.84 HCAR2 (0.40) KDM4EKMT2AIRAK4
SCHEMBL13163108 0.83 EPHX2 (0.42) KDM4ECYP2C19RBP4TTRKMT2A
SCHEMBL13634770 0.82 PIM1 (0.36) CYP2C19RBP4IRAK4
SCHEMBL13634331 0.80 EPHX2 (0.34) KDM4ECYP2C19TTRKMT2AEPHX2
SCHEMBL13634860 0.79 POLB (0.43) KDM4EKMT2A
SCHEMBL13634417 0.79 HRH4 (0.31) HCRTR2

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