SCHEMBL13638894

SCHEMBL13638894

COCCNC(=O)c1cc(CN2CCO[C@@H]3CCC[C@@H]32)ccc1NC(=O)c1csc(N2CC[C@H](OC)C2)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.36
SCD5 Q86SK9 2/20 0.36
HRH3 Q9Y5N1 1/20 0.33
PARP1 P09874 1/20 0.33
TNK1 Q13470 1/20 0.33
KMT2A Q03164 3/20 0.33
PIN1 Q13526 3/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
OPRK1 P41145 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
NAPEPLD Q6IQ20 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
SCHEMBL15888681 0.95 SCD (0.33) SCDSCD5HRH3PARP1TNK1
SCHEMBL13634903 0.95 SCD (0.36) SCDSCD5HRH3PARP1TNK1
SCHEMBL13638891 0.88 IRAK4 (0.38) SCDSCD5KMT2AIRAK4OPRK1
SCHEMBL2770055 0.88 PARP1 (0.38) SCDSCD5PARP1TNK1KMT2A
SCHEMBL13638996 0.87 SCD (0.35) SCDSCD5KMT2AIRAK4OPRK1
SCHEMBL13639001 0.87 KMT2A (0.38) SCDSCD5KMT2AOPRK1
SCHEMBL2770243 0.87 KMT2A (0.38) SCDSCD5KMT2AOPRK1
SCHEMBL13638916 0.87 HDAC8 (0.43) SCDSCD5PIN1
SCHEMBL13638912 0.87 KMT2A (0.47) KMT2AIRAK4OPRK1
SCHEMBL13638774 0.87 SCD (0.38) SCDSCD5HRH3PIN1HPGD

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