SCHEMBL13634918

SCHEMBL13634918

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.39
NAPEPLD Q6IQ20 1/20 0.37
PIN1 Q13526 3/20 0.36
GPR6 P46095 1/20 0.36
SCD O00767 2/20 0.35
SCD5 Q86SK9 2/20 0.35
CHEK1 O14757 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
PARP1 P09874 1/20 0.33
TNK1 Q13470 1/20 0.33
PIM1 P11309 2/20 0.33
PIM3 Q86V86 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
USP28 Q96RU2 1/20 0.33
USP25 Q9UHP3 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
SCHEMBL13634751 0.95 GLS (0.39) GLSNAPEPLDPIN1GPR6SCD
SCHEMBL2774531 0.94 NAPEPLD (0.37) NAPEPLDPIN1SCDSCD5CHEK1
SCHEMBL13634578 0.94 GLS (0.39) GLSNAPEPLDPIN1GPR6SCD
SCHEMBL13634760 0.93 GLS (0.40) GLSNAPEPLDPIN1GPR6SCD
SCHEMBL13634924 0.92 GLS (0.39) GLSNAPEPLDPIN1GPR6SCD
SCHEMBL13634579 0.90 GLS (0.38) GLSNAPEPLDPIN1GPR6SCD
SCHEMBL13634663 0.89 GLS (0.38) GLSNAPEPLDPIN1GPR6SCD
SCHEMBL13634667 0.89 GLS (0.38) GLSNAPEPLDPIN1GPR6SCD
SCHEMBL13634573 0.89 KMT2A (0.42) GAA
SCHEMBL2770504 0.89 PIN1 (0.37) NAPEPLDPIN1SCDSCD5CHEK1

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