SCHEMBL13634784

SCHEMBL13634784

CCc1ccc(NC(=O)c2coc(N3CCOCC3)n2)c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 15/20 0.51
GPR55 Q9Y2T6 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL13634797 0.91 IRAK4 (0.50) IRAK4GPR55LMNAMAPTMEN1
SCHEMBL13270469 0.90 IRAK4 (0.47) IRAK4
SCHEMBL13634739 0.89 IRAK4 (0.48) IRAK4GPR55LMNAMAPTMEN1
SCHEMBL13634551 0.87 IRAK4 (0.47) IRAK4
SCHEMBL13634699 0.86 IRAK4 (0.50) IRAK4MAPT
SCHEMBL13270468 0.83 IRAK4 (0.46) IRAK4LMNAMAPTMEN1ALDH1A1
SCHEMBL13634900 0.80 GRM2 (0.42) IRAK4LMNAMAPTSMN1; SMN2
SCHEMBL13634721 0.80 IRAK4 (0.49) IRAK4MAPTALDH1A1
SCHEMBL13270595 0.78 IRAK4 (0.44) IRAK4
SCHEMBL13634720 0.78 IRAK4 (0.47) IRAK4MAPTMEN1ALDH1A1KMT2A

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