SCHEMBL13634906

SCHEMBL13634906

CCCNC(=O)c1cc(CN2C[C@H](C)[C@H]2C)ccc1NC(=O)c1csc(N2CC[C@H](OC)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.38
SCD5 Q86SK9 2/20 0.38
GLS O94925 1/20 0.36
PIN1 Q13526 3/20 0.34
NAPEPLD Q6IQ20 1/20 0.34
PARP1 P09874 1/20 0.33
TNK1 Q13470 1/20 0.33
PIM1 P11309 4/20 0.33
PIM3 Q86V86 4/20 0.33
PIM2 Q9P1W9 4/20 0.33
GPR6 P46095 1/20 0.33
S1PR1 P21453 1/20 0.33
CHEK1 O14757 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL13638774 0.94 SCD (0.38) SCDSCD5PIN1NAPEPLDPIM1
SCHEMBL13634760 0.90 GLS (0.40) SCDSCD5GLSPIN1NAPEPLD
SCHEMBL13634768 0.90 GLS (0.35) SCDSCD5GLSPIN1NAPEPLD
SCHEMBL13634669 0.90 GLS (0.35) SCDSCD5GLSPIN1NAPEPLD
SCHEMBL13634751 0.89 GLS (0.39) SCDSCD5GLSPIN1NAPEPLD
SCHEMBL13634924 0.89 GLS (0.39) SCDSCD5GLSPIN1NAPEPLD
SCHEMBL13634563 0.89 PDCD1 (0.37) SCDSCD5GLSPIN1NAPEPLD
SCHEMBL13634701 0.88 GPR6 (0.37) SCDGLSPARP1TNK1PIM1
SCHEMBL13634750 0.88 IRAK4 (0.38) SCDSCD5GLS
SCHEMBL13634923 0.88 CHEK1 (0.36) SCDSCD5GLSPARP1TNK1

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