SCHEMBL13634726

SCHEMBL13634726

CCCNC(=O)c1ccccc1NC(=O)c1coc(N2CC[C@@H](Oc3ncccn3)[C@@H](F)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.38
ALDH1A1 P00352 4/20 0.37
GAA P10253 3/20 0.37
KDM4E B2RXH2 2/20 0.37
IRAK4 Q9NWZ3 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SCD O00767 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
BCL3 P20749 4/20 0.34
POLB P06746 1/20 0.34
FGFR1 P11362 1/20 0.34

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
SCHEMBL13634796 0.92 GPR6 (0.37) GPR6IRAK4
SCHEMBL13634553 0.92 BCL3 (0.36) ALDH1A1IRAK4MAPTMEN1LMNA
SCHEMBL13634745 0.92 BCL3 (0.36) ALDH1A1IRAK4MAPTMEN1LMNA
SCHEMBL13634890 0.88 ALDH1A1 (0.37) GPR6ALDH1A1GAAKDM4EIRAK4
SCHEMBL13634860 0.88 POLB (0.43) ALDH1A1GAAKDM4EMAPTLMNA
SCHEMBL13634787 0.88 HCAR2 (0.40) GPR6ALDH1A1KDM4EIRAK4MEN1
SCHEMBL13270803 0.88 HCAR2 (0.40) GPR6ALDH1A1KDM4EIRAK4MEN1
SCHEMBL13634840 0.87 PIM1 (0.37) GPR6ALDH1A1KDM4EIRAK4L3MBTL1
SCHEMBL13634625 0.86 MEN1 (0.40) GPR6ALDH1A1KDM4EIRAK4MEN1
SCHEMBL13634544 0.86 MEN1 (0.40) GPR6ALDH1A1KDM4EIRAK4MEN1

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