SCHEMBL13634644

SCHEMBL13634644

CC[C@H]1COCCN1Cc1ccc(NC(=O)c2csc(N3CC[C@H](OC)C3)n2)c(C(=O)NCCCF)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.35
SCD5 Q86SK9 2/20 0.35
IRAK4 Q9NWZ3 3/20 0.33
KMT2A Q03164 2/20 0.33
OPRK1 P41145 1/20 0.33
S1PR1 P21453 1/20 0.33
CD274 Q9NZQ7 2/20 0.33
CNR2 P34972 1/20 0.32

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
SCHEMBL13634564 0.94 SCD (0.35) SCDSCD5IRAK4KMT2AOPRK1
SCHEMBL13634566 0.94 SCD (0.35) SCDSCD5IRAK4KMT2AOPRK1
SCHEMBL13638921 0.93 KMT2A (0.36) SCDSCD5IRAK4KMT2AOPRK1
SCHEMBL13638893 0.93 KMT2A (0.36) SCDSCD5IRAK4KMT2AOPRK1
SCHEMBL13634846 0.92 IRAK4 (0.37) SCDSCD5IRAK4KMT2AOPRK1
SCHEMBL13634847 0.92 IRAK4 (0.37) SCDSCD5IRAK4KMT2AOPRK1
SCHEMBL13270650 0.89 MAPT (0.39) SCDSCD5IRAK4KMT2AS1PR1
SCHEMBL13638996 0.89 SCD (0.35) SCDSCD5IRAK4KMT2AOPRK1
SCHEMBL13634557 0.88 S1PR1 (0.42) SCDSCD5S1PR1CNR2
SCHEMBL13634750 0.86 IRAK4 (0.38) SCDSCD5IRAK4KMT2AOPRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed