SCHEMBL13638996

SCHEMBL13638996

COCCNC(=O)c1cc(CN2CCOC[C@@H]2COC)ccc1NC(=O)c1csc(N2CC[C@H](OC)C2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.35
SCD5 Q86SK9 2/20 0.35
KMT2A Q03164 4/20 0.35
IRAK4 Q9NWZ3 3/20 0.35
OPRK1 P41145 1/20 0.35
S1PR1 P21453 1/20 0.35
CD274 Q9NZQ7 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL13638921 0.95 KMT2A (0.36) SCDSCD5KMT2AIRAK4OPRK1
SCHEMBL13638893 0.95 KMT2A (0.36) SCDSCD5KMT2AIRAK4OPRK1
SCHEMBL13638891 0.93 IRAK4 (0.38) SCDSCD5KMT2AIRAK4OPRK1
SCHEMBL13634564 0.91 SCD (0.35) SCDSCD5KMT2AIRAK4OPRK1
SCHEMBL13634566 0.91 SCD (0.35) SCDSCD5KMT2AIRAK4OPRK1
SCHEMBL13638916 0.91 HDAC8 (0.43) SCDSCD5S1PR1
SCHEMBL13638912 0.89 KMT2A (0.47) KMT2AIRAK4OPRK1S1PR1MEN1
SCHEMBL13634644 0.89 SCD (0.35) SCDSCD5KMT2AIRAK4OPRK1
SCHEMBL13634750 0.87 IRAK4 (0.38) SCDSCD5KMT2AIRAK4OPRK1
SCHEMBL13638948 0.87 SCD (0.34) SCDSCD5S1PR1ALDH1A1

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