SCHEMBL13638893

SCHEMBL13638893

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
OPRK1 P41145 1/20 0.36
SCD O00767 2/20 0.35
SCD5 Q86SK9 2/20 0.35
IRAK4 Q9NWZ3 3/20 0.34
S1PR1 P21453 1/20 0.34

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 1.00 KMT2A (0.36) KMT2AOPRK1SCDSCD5IRAK4
SCHEMBL13634566 0.95 SCD (0.35) KMT2AOPRK1SCDSCD5IRAK4
SCHEMBL13638996 0.95 SCD (0.35) KMT2AOPRK1SCDSCD5IRAK4
SCHEMBL13634564 0.95 SCD (0.35) KMT2AOPRK1SCDSCD5IRAK4
SCHEMBL13634644 0.93 SCD (0.35) KMT2AOPRK1SCDSCD5IRAK4
SCHEMBL13638891 0.92 IRAK4 (0.38) KMT2AOPRK1SCDSCD5IRAK4
SCHEMBL13638912 0.89 KMT2A (0.47) KMT2AOPRK1IRAK4S1PR1
SCHEMBL13634750 0.88 IRAK4 (0.38) KMT2AOPRK1SCDSCD5IRAK4
SCHEMBL13638916 0.87 HDAC8 (0.43) SCDSCD5S1PR1
SCHEMBL13638894 0.87 SCD (0.36) KMT2AOPRK1SCDSCD5IRAK4

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