SCHEMBL13638974

SCHEMBL13638974

COC(=O)c1ccc(CN2CCOCC2)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
MAPK1 P28482 1/20 0.54
HCRTR1 O43613 1/20 0.53
HCRTR2 O43614 1/20 0.53
KMT2A Q03164 1/20 0.50
HTT P42858 1/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
ATM Q13315 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TSHR P16473 1/20 0.47
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47
AOC3 Q16853 1/20 0.47

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 0.90 ALDH1A1 (0.59) SMN1; SMN2MAPK1HCRTR1HCRTR2KMT2A
Hydrochloric Acid SCHEMBL2769406 0.89 ALDH1A1 (0.58) SMN1; SMN2MAPK1HCRTR1HCRTR2KMT2A
SCHEMBL589672 0.87 KDM4E (0.61) SMN1; SMN2KMT2AALDH1A1KDM4EGLA
SCHEMBL5058405 0.86 SMN1; SMN2 (0.55) SMN1; SMN2MAPK1HCRTR1HCRTR2KMT2A
SCHEMBL13634159 0.85 KDM4E (0.54) SMN1; SMN2MAPK1HCRTR1HCRTR2KMT2A
Hydrochloric Acid SCHEMBL5054616 0.85 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1HCRTR1HCRTR2KMT2A
SCHEMBL1013959 0.85 HTT (0.59) SMN1; SMN2MAPK1HCRTR1HCRTR2KMT2A
SCHEMBL30230313 0.85 HTT (0.62) SMN1; SMN2MAPK1HCRTR1HCRTR2KMT2A
SCHEMBL3590235 0.84 PARP1 (0.49) HTTALDH1A1KDM4EHPGDAOC3
SCHEMBL12858369 0.84 HCRTR1 (0.55) SMN1; SMN2MAPK1HCRTR1HCRTR2KMT2A

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