SCHEMBL13634819

SCHEMBL13634819

CCCNC(=O)c1cc(CN2CCOCC2)ccc1NC(=O)c1csc(N2CCC3(CCCO3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.41
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
F10 P00742 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
PARP1 P09874 1/20 0.38
TNK1 Q13470 1/20 0.38
S1PR1 P21453 1/20 0.38
ACHE P22303 1/20 0.37
OPRK1 P41145 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL13638761 0.93 KMT2A (0.46) IRAK4MAPTTSHRF10CHRM2
SCHEMBL13634662 0.90 IRAK4 (0.47) IRAK4MAPTTSHRF10OPRK1
SCHEMBL13164102 0.89 IRAK4 (0.42) IRAK4MAPTTSHRF10CHRM2
SCHEMBL13634710 0.86 MCHR1 (0.37) CHRM2CHRM3PARP1TNK1
SCHEMBL13634740 0.83 MAPT (0.41) IRAK4MAPTTSHRF10S1PR1
SCHEMBL13634661 0.83 S1PR1 (0.42) IRAK4MAPTTSHRF10S1PR1
SCHEMBL13270601 0.83 KMT2A (0.54) IRAK4MAPTTSHROPRK1KMT2A
SCHEMBL13634718 0.81 IRAK4 (0.47) IRAK4OPRK1KMT2A
SCHEMBL13634884 0.81 S1PR1 (0.40) IRAK4MAPTTSHRF10S1PR1
SCHEMBL13638819 0.80 MCHR1 (0.37) CHRM2CHRM3PARP1TNK1OPRK1

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