SCHEMBL13638770

SCHEMBL13638770

Bc1cc(C(=O)N(C)C)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 10/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SCD O00767 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
CHEK1 O14757 3/20 0.36
FGFR1 P11362 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
SCHEMBL13634609 0.82 GPR6 (0.41) GPR6SMN1; SMN2SCDHDAC3HDAC2
SCHEMBL13634680 0.82 POLB (0.42) GPR6SCDIRAK4CHEK1
SCHEMBL13634881 0.81 NPC1 (0.40) GPR6SMN1; SMN2SCDHDAC3HDAC2
SCHEMBL13634606 0.81 IRAK4 (0.43) GPR6SCDIRAK4CHEK1
SCHEMBL13634679 0.81 IRAK4 (0.43) GPR6SCDIRAK4CHEK1
SCHEMBL13634598 0.81 HRH3 (0.42) GPR6SMN1; SMN2SCDIRAK4HDAC3
SCHEMBL2770451 0.81 GPR6 (0.43) GPR6SCDHDAC3HDAC2CHEK1
SCHEMBL13634653 0.81 HRH3 (0.41) GPR6SMN1; SMN2SCDIRAK4HDAC3
SCHEMBL13634849 0.80 GPR6 (0.41) GPR6SCDHDAC3HDAC2CHEK1
SCHEMBL13634527 0.80 HRH3 (0.41) GPR6SCDIRAK4HDAC3HDAC2

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