SCHEMBL13634662

SCHEMBL13634662

CCCNC(=O)c1cc(CN2CCOCC2)ccc1NC(=O)c1csc(N2CCOCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.47
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
OPRK1 P41145 1/20 0.44
KMT2A Q03164 1/20 0.44
F10 P00742 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL13270601 0.92 KMT2A (0.54) IRAK4MAPTTSHROPRK1KMT2A
SCHEMBL13634661 0.91 S1PR1 (0.42) IRAK4MAPTTSHRKMT2AF10
SCHEMBL13634740 0.91 MAPT (0.41) IRAK4MAPTTSHROPRK1KMT2A
SCHEMBL13634819 0.90 IRAK4 (0.41) IRAK4MAPTTSHROPRK1KMT2A
SCHEMBL13634718 0.89 IRAK4 (0.47) IRAK4OPRK1KMT2AL3MBTL1
SCHEMBL13634884 0.89 S1PR1 (0.40) IRAK4MAPTTSHRKMT2AF10
SCHEMBL13634540 0.86 S1PR1 (0.40) IRAK4MAPTTSHROPRK1KMT2A
SCHEMBL13634572 0.85 MAPT (0.40) IRAK4MAPTTSHRKMT2AF10
SCHEMBL2772472 0.84 KMT2A (0.49) IRAK4MAPTTSHROPRK1KMT2A
SCHEMBL13270599 0.84 MAPT (0.41) IRAK4MAPTTSHROPRK1KMT2A

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