SCHEMBL13634339

SCHEMBL13634339

CC[C@H]1COCCN1c1nc(C(=O)O)co1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.41
IRAK4 Q9NWZ3 3/20 0.38
MTOR P42345 9/20 0.37
PIK3CA P42336 5/20 0.36
AURKA O14965 1/20 0.35
PDPK1 O15530 1/20 0.35
PIK3R1 P27986 3/20 0.34
ATR Q13535 2/20 0.34
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL13163110 0.87 PDK1 (0.39) HTR3AIRAK4MTORHCRTR1HCRTR2
SCHEMBL13638968 0.83 IRAK4 (0.50) HTR3AIRAK4MTORPIK3CA
SCHEMBL13634320 0.80 HTR3A (0.40) HTR3AMTORPIK3CAAURKAPDPK1
SCHEMBL15888553 0.76 HCRTR1 (0.42) IRAK4MTORPIK3CAHCRTR1HCRTR2
SCHEMBL22773890 0.76 KMO (0.40) HTR3AMTORPIK3CAAURKAPDPK1
SCHEMBL22773888 0.76 KMO (0.40) HTR3AMTORPIK3CAAURKAPDPK1
SCHEMBL1004971 0.72 HTR3A (0.66) HTR3AMTORPIK3CAATR
SCHEMBL1006017 0.72 HTR3A (0.66) HTR3AMTORPIK3CAATR
SCHEMBL1004970 0.72 HTR3A (0.66) HTR3AMTORPIK3CAATR
SCHEMBL2079853 0.72 KMO (0.49) IRAK4PIK3CAPIK3R1

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