SCHEMBL13638817

SCHEMBL13638817

COCCNC(=O)c1cc(CN(C)C)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
EPHX2 P34913 1/20 0.35
CYP2J2 P51589 1/20 0.35
KMT2A Q03164 2/20 0.35
OPRK1 P41145 1/20 0.35
GPR6 P46095 5/20 0.35
FGFR1 P11362 1/20 0.35
SCD O00767 1/20 0.35
MEN1 O00255 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
PDE4B Q07343 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
CHEK1 O14757 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
SCHEMBL13638896 0.93 GPR6 (0.35) KMT2AOPRK1GPR6FGFR1SCD
SCHEMBL13270392 0.93 SCD (0.33) CYP2C9CYP2C19EPHX2CYP2J2KMT2A
SCHEMBL13634599 0.92 GPR6 (0.37) CYP2C9CYP2C19EPHX2CYP2J2KMT2A
SCHEMBL13638926 0.91 GPR6 (0.37) KMT2AOPRK1GPR6SCDMEN1
SCHEMBL13634684 0.90 MCHR1 (0.39) FGFR1IRAK4
SCHEMBL13638989 0.90 MCHR1 (0.35) CYP2C9CYP2C19EPHX2CYP2J2KMT2A
SCHEMBL13638883 0.89 MCHR1 (0.35) KMT2AOPRK1GPR6FGFR1SCD
SCHEMBL13638933 0.89 MCHR1 (0.39) CYP2C9KMT2A
SCHEMBL13634665 0.89 AXL (0.39) KMT2AOPRK1FGFR1IRAK4
SCHEMBL13638765 0.88 MCHR1 (0.37) KMT2AOPRK1GPR6SCDMEN1

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