SCHEMBL13638809

SCHEMBL13638809

COC(=O)c1cc(CN2CCOCC2C)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GRM2 Q14416 3/20 0.46
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR3 P22607 1/20 0.42
LTA4H P09960 1/20 0.42
PIK3CA P42336 2/20 0.40
PDE1B Q01064 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38

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
SCHEMBL13161888 0.83 SIRT6 (0.47) KDM4EALDH1A1MAPTGRM2FGFR1
SCHEMBL2774659 0.81 ALDH1A1 (0.59) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL20286049 0.81 SMN1; SMN2 (0.54) KDM4EALDH1A1MAPTHPGDALOX15
Hydrochloric Acid SCHEMBL2769406 0.80 ALDH1A1 (0.58) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL7863409 0.77 GRM2 (0.48) ALDH1A1MAPTGRM2FGFR1FGFR2
SCHEMBL13634309 0.77 KDM4E (0.61) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL13634159 0.77 KDM4E (0.54) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL13163941 0.76 ALDH1A1 (0.53) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL13163981 0.76 KDM4E (0.52) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL13634249 0.75 KDM4E (0.58) KDM4EALDH1A1GAAMAPTHPGD

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 1 patent. 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