SCHEMBL13634159

SCHEMBL13634159

COC(=O)c1cc(CN2CCCOCC2)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
TSHR P16473 2/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 1/20 0.50
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
KMT2A Q03164 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HTT P42858 1/20 0.45
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
AOC3 Q16853 1/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL2774659 0.95 ALDH1A1 (0.59) KDM4ETSHRALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL2769406 0.94 ALDH1A1 (0.58) KDM4ETSHRALDH1A1GAAMAPT
SCHEMBL495753 0.88 KDM4E (0.62) KDM4ETSHRALDH1A1GAAMAPT
SCHEMBL13162651 0.87 SMN1; SMN2 (0.51) KDM4ETSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL13638974 0.85 SMN1; SMN2 (0.54) KDM4ETSHRALDH1A1GAAMAPT
SCHEMBL13163094 0.85 ALDH1A1 (0.50) KDM4ETSHRALDH1A1MAPTHPGD
SCHEMBL146852 0.83 TSHR (0.55) KDM4ETSHRALDH1A1MAPTHSD17B10
SCHEMBL13162553 0.83 ALDH1A1 (0.57) KDM4ETSHRALDH1A1GAAMAPT
SCHEMBL13161883 0.82 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2MAPK1HCRTR1
SCHEMBL13161998 0.82 SMN1; SMN2 (0.55) KDM4ETSHRALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
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