SCHEMBL13634619

SCHEMBL13634619

COc1cc(C(=O)NS(C)(=O)=O)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.43
SCN5A Q14524 4/20 0.43
PDE4D Q08499 2/20 0.41
IRAK4 Q9NWZ3 3/20 0.41
CHEK1 O14757 1/20 0.40
SCD O00767 1/20 0.39
HPGD P15428 1/20 0.39
SLC5A7 Q9GZV3 2/20 0.39
CYP1A2 P05177 1/20 0.39
GPR6 P46095 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL13634703 0.93 PDE4D (0.42) PDE4DIRAK4CHEK1SCDHPGD
SCHEMBL13638763 0.92 SCD (0.42) SCN9ASCN5ASCDHPGDGPR6
SCHEMBL13634606 0.90 IRAK4 (0.43) PDE4DIRAK4CHEK1SCDHPGD
SCHEMBL13634679 0.90 IRAK4 (0.43) PDE4DIRAK4CHEK1SCDHPGD
SCHEMBL13634648 0.85 MAP3K7 (0.51) IRAK4CHEK1GPR6
SCHEMBL13638995 0.84 SCD (0.43) SCN9APDE4DSCDHPGDGPR6
SCHEMBL13634702 0.84 HRH3 (0.41) IRAK4CHEK1SCDGPR6
SCHEMBL13634680 0.84 POLB (0.42) PDE4DIRAK4CHEK1SCDHPGD
SCHEMBL13634621 0.83 GPR6 (0.39) CHEK1SCDGPR6
SCHEMBL13638935 0.82 SCD (0.44) SCN9AIRAK4CHEK1SCDHPGD

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