SCHEMBL13634609

SCHEMBL13634609

Cc1cc(C(=O)O)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 4/20 0.41
SCD O00767 1/20 0.40
DNM1L O00429 2/20 0.40
PTGER4 P35408 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
S1PR1 P21453 1/20 0.38
CHEK1 O14757 4/20 0.37
HRH3 Q9Y5N1 1/20 0.37
FGFR1 P11362 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL13634598 0.92 HRH3 (0.42) GPR6SCDHDAC3HDAC2S1PR1
SCHEMBL13634679 0.91 IRAK4 (0.43) GPR6SCDDNM1LCHEK1
SCHEMBL2770451 0.91 GPR6 (0.43) GPR6SCDDNM1LHDAC3HDAC2
SCHEMBL13634849 0.90 GPR6 (0.41) GPR6SCDDNM1LHDAC3HDAC2
SCHEMBL13634698 0.89 MAP3K7 (0.47) GPR6SCDHRH3FGFR1
SCHEMBL13634621 0.89 GPR6 (0.39) GPR6SCDDNM1LHDAC3HDAC2
SCHEMBL13634709 0.88 GPR6 (0.46) GPR6SCDHDAC3HDAC2
SCHEMBL13162054 0.88 SCD (0.50) GPR6SCDHDAC3HDAC2SMN1; SMN2
SCHEMBL2772305 0.86 SCD (0.45) GPR6SCDDNM1LHDAC3HDAC2
SCHEMBL13634881 0.84 NPC1 (0.40) GPR6SCDHDAC3HDAC2CHEK1

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