SCHEMBL13634641

SCHEMBL13634641

CO[C@H]1CCN(c2nc(C(=O)Nc3ccc(CN4CCOC(C)(C)C4)cc3C(=O)NCCCF)cs2)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.34
SCD5 Q86SK9 2/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
WDR5 P61964 1/20 0.33
GRM2 Q14416 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
MCHR1 Q99705 1/20 0.32
GAA P10253 1/20 0.32
PARP1 P09874 1/20 0.32
TNK1 Q13470 1/20 0.32
CNR2 P34972 1/20 0.32
PDE4B Q07343 1/20 0.31
PIM1 P11309 3/20 0.31

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
SCHEMBL15888629 0.94 SCD (0.32) SCDSCD5WDR5GRM2CNR2
SCHEMBL13270650 0.91 MAPT (0.39) SCDSCD5IRAK4MEN1ALDH1A1
SCHEMBL13638833 0.89 GRM2 (0.39) SCDSCD5GRM2MCHR1PARP1
SCHEMBL13634738 0.87 GRM2 (0.35) SCDSCD5GRM2ALDH1A1KMT2A
SCHEMBL3127604 0.87 IRAK4 (0.36) SCDSCD5IRAK4GRM2MEN1
SCHEMBL13634767 0.86 SCD (0.37) SCDSCD5CNR2PIM1PIM3
SCHEMBL13634757 0.86 MAPT (0.40) IRAK4MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL13634559 0.86 ALDH1A1 (0.41) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL13634927 0.85 CNR2 (0.36) SCDSCD5CNR2PIM1PIM3
SCHEMBL13162737 0.84 GRM2 (0.36) SCDSCD5GRM2MEN1ALDH1A1

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