SCHEMBL13634643

SCHEMBL13634643

COC[C@H]1C[C@H](F)CN1Cc1ccc(NC(=O)c2csc(N3CC[C@H](OC)C3)n2)c(C(=O)NCCCF)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.35
SCD5 Q86SK9 2/20 0.35
S1PR1 P21453 1/20 0.34
CNR2 P34972 1/20 0.33
PIM1 P11309 4/20 0.33
PIM3 Q86V86 3/20 0.33
PIM2 Q9P1W9 3/20 0.33
GPR6 P46095 1/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
DRD2 P14416 6/20 0.32
DRD3 P35462 6/20 0.32
PIN1 Q13526 3/20 0.31
DRD4 P21917 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
SCHEMBL13638948 0.94 SCD (0.34) SCDSCD5S1PR1PIM1PIM3
SCHEMBL13634640 0.94 SCD (0.35) SCDSCD5S1PR1CNR2PIM1
SCHEMBL13634855 0.94 S1PR1 (0.36) SCDSCD5S1PR1PIM1PIM3
SCHEMBL13634557 0.92 S1PR1 (0.42) SCDSCD5S1PR1CNR2HDAC8
SCHEMBL13634897 0.88 SCD (0.36) SCDSCD5S1PR1CNR2PIM1
SCHEMBL13638833 0.87 GRM2 (0.39) SCDSCD5CNR2PIM1PIM3
SCHEMBL13634767 0.87 SCD (0.37) SCDSCD5CNR2PIM1PIM3
SCHEMBL13634761 0.86 ABCB1 (0.39) SCDSCD5S1PR1CNR2HDAC8
SCHEMBL13634659 0.86 SCD (0.35) SCDSCD5S1PR1CNR2PIM1
SCHEMBL13638916 0.85 HDAC8 (0.43) SCDSCD5S1PR1HDAC8HDAC6

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 2 patents. 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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed