SCHEMBL13634738

SCHEMBL13634738

CO[C@H]1CCN(c2nc(C(=O)Nc3ccc(CN4CC[C@H](C)C4)cc3C(=O)NCCCF)cs2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
SCD O00767 2/20 0.35
SCD5 Q86SK9 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MCHR1 Q99705 2/20 0.34
CNR2 P34972 1/20 0.33
PARP1 P09874 1/20 0.33
TNK1 Q13470 1/20 0.33
PIN1 Q13526 3/20 0.33
PIM1 P11309 3/20 0.33
PIM3 Q86V86 3/20 0.33
PIM2 Q9P1W9 3/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL13638833 0.96 GRM2 (0.39) GRM2PDCD1CD274SCDSCD5
SCHEMBL13634563 0.92 PDCD1 (0.37) GRM2PDCD1CD274SCDSCD5
SCHEMBL13270650 0.90 MAPT (0.39) SCDSCD5ALDH1A1LMNAKDM4E
SCHEMBL13634767 0.90 SCD (0.37) SCDSCD5CNR2PIN1PIM1
SCHEMBL13634897 0.89 SCD (0.36) SCDSCD5MCHR1CNR2PIM1
SCHEMBL13634915 0.88 LMNA (0.37) PDCD1CD274SCDSCD5ALDH1A1
SCHEMBL13634927 0.88 CNR2 (0.36) SCDSCD5CNR2PIN1PIM1
SCHEMBL13638951 0.88 PDCD1 (0.40) GRM2PDCD1CD274SCDSCD5
SCHEMBL13634659 0.87 SCD (0.35) SCDSCD5CNR2PIN1PIM1
SCHEMBL13634641 0.87 SCD (0.34) GRM2SCDSCD5ALDH1A1MCHR1

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