SCHEMBL13638948

SCHEMBL13638948

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.34
SCD5 Q86SK9 2/20 0.34
S1PR1 P21453 1/20 0.34
GPR6 P46095 1/20 0.33
PIN1 Q13526 3/20 0.32
PIM1 P11309 3/20 0.32
PIM3 Q86V86 3/20 0.32
PIM2 Q9P1W9 3/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHEK1 O14757 1/20 0.31
DNM1L O00429 1/20 0.31
NAPEPLD Q6IQ20 1/20 0.31

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
SCHEMBL13634855 0.95 S1PR1 (0.36) SCDSCD5S1PR1GPR6PIN1
SCHEMBL13634643 0.94 SCD (0.35) SCDSCD5S1PR1GPR6PIN1
SCHEMBL13638916 0.90 HDAC8 (0.43) SCDSCD5S1PR1PIN1HDAC8
SCHEMBL13638824 0.89 KMT2A (0.39) SCDSCD5GPR6PIN1
SCHEMBL13634640 0.88 SCD (0.35) SCDSCD5S1PR1GPR6PIN1
SCHEMBL13638996 0.87 SCD (0.35) SCDSCD5S1PR1ALDH1A1
SCHEMBL13638774 0.87 SCD (0.38) SCDSCD5PIN1PIM1PIM3
SCHEMBL13638951 0.87 PDCD1 (0.40) SCDSCD5PIN1
SCHEMBL13639003 0.86 PIN1 (0.37) SCDSCD5PIN1PIM1PIM3
SCHEMBL2770055 0.86 PARP1 (0.38) SCDSCD5PIN1

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