SCHEMBL13634855

SCHEMBL13634855

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.36
GLS O94925 1/20 0.34
SCD O00767 2/20 0.34
SCD5 Q86SK9 2/20 0.34
GPR6 P46095 2/20 0.33
PIM1 P11309 3/20 0.32
PIM3 Q86V86 3/20 0.32
PIM2 Q9P1W9 3/20 0.32
PIN1 Q13526 3/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
PARP1 P09874 1/20 0.31
TNK1 Q13470 1/20 0.31
DRD4 P21917 1/20 0.31
CHEK1 O14757 1/20 0.31
DNM1L O00429 1/20 0.30
NAPEPLD Q6IQ20 1/20 0.30

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
SCHEMBL13638948 0.95 SCD (0.34) S1PR1SCDSCD5GPR6PIM1
SCHEMBL13634643 0.94 SCD (0.35) S1PR1SCDSCD5GPR6PIM1
SCHEMBL13634729 0.90 S1PR1 (0.45) S1PR1GLSSCDSCD5PIN1
SCHEMBL13634886 0.88 ACKR3 (0.38) GLSSCDSCD5GPR6PIN1
SCHEMBL13634640 0.87 SCD (0.35) S1PR1SCDSCD5GPR6PIM1
SCHEMBL13634906 0.86 SCD (0.38) S1PR1GLSSCDSCD5GPR6
SCHEMBL13634760 0.86 GLS (0.40) GLSSCDSCD5GPR6PIN1
SCHEMBL13634751 0.85 GLS (0.39) GLSSCDSCD5GPR6PIM1
SCHEMBL13634924 0.85 GLS (0.39) GLSSCDSCD5GPR6PIM1
SCHEMBL13638916 0.85 HDAC8 (0.43) S1PR1SCDSCD5PIN1HDAC8

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