SCHEMBL13638934

SCHEMBL13638934

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.49
HRH3 Q9Y5N1 2/20 0.40
HPGD P15428 1/20 0.39
GPR6 P46095 5/20 0.39
PDE4D Q08499 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
ABL1 P00519 1/20 0.37
KIT P10721 1/20 0.37
RBP4 P02753 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL13162054 0.92 SCD (0.50) SCDHPGDGPR6HDAC3HDAC2
SCHEMBL13638935 0.89 SCD (0.44) SCDHRH3HPGDGPR6LMNA
SCHEMBL13634620 0.89 SCD (0.46) SCDGPR6ABL1KIT
SCHEMBL13634606 0.89 IRAK4 (0.43) SCDHRH3HPGDGPR6PDE4D
SCHEMBL13634598 0.89 HRH3 (0.42) SCDHRH3GPR6HDAC3HDAC2
SCHEMBL13634653 0.88 HRH3 (0.41) SCDHRH3GPR6HDAC3HDAC2
SCHEMBL13634527 0.87 HRH3 (0.41) SCDHRH3GPR6HDAC3HDAC2
SCHEMBL13634695 0.86 GPR6 (0.43) SCDHRH3GPR6
SCHEMBL13634702 0.86 HRH3 (0.41) SCDHRH3GPR6HDAC3HDAC2
SCHEMBL13634679 0.82 IRAK4 (0.43) SCDHPGDGPR6PDE4DLMNA

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