SCHEMBL13634749

SCHEMBL13634749

CO[C@H]1CCN(c2nc(C(=O)Nc3ccc(CN4CCCC4=O)cc3C(=O)NCCCF)cs2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.38
S1PR1 P21453 1/20 0.38
SCD O00767 2/20 0.36
SCD5 Q86SK9 2/20 0.36
TYRO3 Q06418 6/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PIM2 Q9P1W9 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IKBKB O14920 1/20 0.35
ABL1 P00519 1/20 0.35
INSR P06213 1/20 0.35
MET P08581 1/20 0.35
SRC P12931 1/20 0.35
MAPK1 P28482 1/20 0.35
AXL P30530 1/20 0.35
GSK3B P49841 1/20 0.35
MERTK Q12866 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL13638833 0.89 GRM2 (0.39) SCDSCD5PIM2PIM1PIM3
SCHEMBL13634588 0.89 S1PR1 (0.41) F10S1PR1SCDSCD5PIM2
SCHEMBL13634767 0.89 SCD (0.37) SCDSCD5PIM2PIM1PIM3
SCHEMBL13634897 0.88 SCD (0.36) S1PR1SCDSCD5MAPTPIM2
SCHEMBL13634927 0.87 CNR2 (0.36) SCDSCD5PIM2PIM1PIM3
SCHEMBL13634557 0.87 S1PR1 (0.42) S1PR1SCDSCD5CNR2
SCHEMBL13270650 0.86 MAPT (0.39) F10S1PR1SCDSCD5GAA
SCHEMBL13634738 0.86 GRM2 (0.35) SCDSCD5GAAPIM2L3MBTL1
SCHEMBL13270715 0.85 SCD (0.37) SCDSCD5PIM2PIM1PIM3
SCHEMBL13270769 0.85 ITK (0.36) F10SCDSCD5MAPTPIM2

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