SCHEMBL13634667

SCHEMBL13634667

CCCNC(=O)c1cc(COCCOC)ccc1NC(=O)c1csc(N2CC[C@H](OC)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.38
PIN1 Q13526 3/20 0.35
CHEK1 O14757 1/20 0.35
SCD O00767 2/20 0.34
SCD5 Q86SK9 2/20 0.34
F10 P00742 2/20 0.34
F2 P00734 1/20 0.34
GPR6 P46095 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
NAPEPLD Q6IQ20 1/20 0.33
PTGES O14684 1/20 0.33
PARP1 P09874 1/20 0.33
TNK1 Q13470 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL13634579 0.96 GLS (0.38) GLSPIN1CHEK1SCDSCD5
SCHEMBL13163170 0.95 PIN1 (0.36) PIN1CHEK1SCDSCD5F10
SCHEMBL13163169 0.94 PIN1 (0.35) GLSPIN1CHEK1SCDSCD5
SCHEMBL2773453 0.92 PIN1 (0.35) GLSPIN1CHEK1SCDSCD5
SCHEMBL13634760 0.92 GLS (0.40) GLSPIN1CHEK1SCDSCD5
SCHEMBL13634751 0.91 GLS (0.39) GLSPIN1CHEK1SCDSCD5
SCHEMBL13634924 0.91 GLS (0.39) GLSPIN1CHEK1SCDSCD5
SCHEMBL13639003 0.90 PIN1 (0.37) PIN1CHEK1SCDSCD5HRH3
SCHEMBL13634663 0.90 GLS (0.38) GLSPIN1CHEK1SCDSCD5
SCHEMBL13634578 0.89 GLS (0.39) GLSPIN1CHEK1SCDSCD5

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