SCHEMBL13638780

SCHEMBL13638780

COCCNC(=O)c1cc(CN[C@H]2CCOC2)ccc1NC(=O)c1csc(N2CC[C@H](OC)C2)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
METTL3 Q86U44 1/20 0.34
KMT2A Q03164 3/20 0.34
OPRK1 P41145 1/20 0.34
IRAK4 Q9NWZ3 3/20 0.33
SCD O00767 2/20 0.33
SCD5 Q86SK9 2/20 0.33
GUCY1B2 O75343 3/20 0.33
GUCY1A2 P33402 3/20 0.33
GUCY1A1 Q02108 3/20 0.33
GUCY1B1 Q02153 3/20 0.33
GPR6 P46095 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
SCHEMBL13634925 0.95 PDCD1 (0.36) PDCD1CD274METTL3KMT2AIRAK4
SCHEMBL13634774 0.93 PDCD1 (0.35) PDCD1CD274METTL3KMT2AIRAK4
SCHEMBL13634877 0.93 PDCD1 (0.35) PDCD1CD274METTL3KMT2AIRAK4
SCHEMBL13639003 0.87 PIN1 (0.37) KMT2AOPRK1SCDSCD5
SCHEMBL13638920 0.87 HDAC1 (0.37) KMT2AOPRK1IRAK4SCDSCD5
SCHEMBL2770606 0.86 PIN1 (0.37) KMT2AOPRK1SCDSCD5
SCHEMBL2770504 0.86 PIN1 (0.37) KMT2AOPRK1SCDSCD5
SCHEMBL13638912 0.86 KMT2A (0.47) KMT2AOPRK1IRAK4
SCHEMBL13638891 0.86 IRAK4 (0.38) KMT2AOPRK1IRAK4SCDSCD5
SCHEMBL13638996 0.85 SCD (0.35) CD274KMT2AOPRK1IRAK4SCD

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