SCHEMBL13634702

SCHEMBL13634702

COC(=O)c1ccc(NC(=O)c2csc(N3CCC(Oc4ncccn4)CC3)n2)c(S(C)(=O)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
SCD O00767 1/20 0.38
GPR6 P46095 6/20 0.37
CHEK1 O14757 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PABPC1 P11940 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
CMA1 P23946 1/20 0.35

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
SCHEMBL13634621 0.93 GPR6 (0.39) HRH3SCDGPR6CHEK1HDAC3
SCHEMBL13634736 0.89 MAP3K7 (0.40) HRH3SCDGPR6IRAK4
SCHEMBL13634598 0.89 HRH3 (0.42) HRH3SCDGPR6CHEK1HDAC3
SCHEMBL13634606 0.89 IRAK4 (0.43) HRH3SCDGPR6CHEK1HSD17B10
SCHEMBL13634653 0.88 HRH3 (0.41) HRH3SCDGPR6CHEK1HDAC3
SCHEMBL13634527 0.87 HRH3 (0.41) HRH3SCDGPR6CHEK1HDAC3
SCHEMBL13638934 0.86 SCD (0.49) HRH3SCDGPR6HDAC3HDAC2
SCHEMBL13634695 0.86 GPR6 (0.43) HRH3SCDGPR6
SCHEMBL13638935 0.85 SCD (0.44) HRH3SCDGPR6CHEK1IRAK4
SCHEMBL13634619 0.84 SCN9A (0.43) SCDGPR6CHEK1IRAK4

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 2 patents. 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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed