SCHEMBL13634668

SCHEMBL13634668

CCCNC(=O)c1cc(CC)ccc1NC(=O)c1csc(N(C)CCOC)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
GAA P10253 3/20 0.36
TLR7 Q9NYK1 1/20 0.35
TRPC3 Q13507 1/20 0.35
TRPC7 Q9HCX4 1/20 0.35
TRPC5 Q9UL62 1/20 0.35
HPGD P15428 2/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 2/20 0.33
ACHE P22303 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX12 P18054 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MTNR1A P48039 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
SCHEMBL13634763 0.90 F10 (0.38) F10IRAK4GAATLR7TRPC3
SCHEMBL13163171 0.88 F10 (0.36) F10IRAK4GAATRPC3TRPC7
SCHEMBL13634911 0.86 KMT2A (0.45) F10GAAMAPTLMNAACHE
SCHEMBL13634678 0.83 JAK2 (0.35) F10IRAK4GAAMAPTALDH1A1
SCHEMBL13634595 0.83 S1PR1 (0.49) S1PR1
SCHEMBL13634867 0.83 DRD4 (0.40) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL13270464 0.83 PTGES (0.37) F10IRAK4GAATLR7TRPC3
SCHEMBL3436608 0.82 GAA (0.43) GAAHPGDLMNAACHEKDM4E
SCHEMBL13634748 0.81 S1PR1 (0.36) F10IRAK4GAAS1PR1
SCHEMBL2772504 0.81 KMT2A (0.51) F10GAAMAPTLMNAACHE

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