SCHEMBL6864531

SCHEMBL6864531

Cc1nn(-c2cccc3nn(Cc4cc(F)cc(Cl)c4)cc23)c(C)c1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.37
LMNA P02545 2/20 0.36
GPR52 Q9Y2T5 2/20 0.36
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
WNT3A P56704 3/20 0.35
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IKBKB O14920 1/20 0.33
SLC2A1 P11166 1/20 0.33
SLC2A3 P11169 1/20 0.33
SLC2A4 P14672 1/20 0.33
RORC P51449 1/20 0.33
P2RX7 Q99572 6/20 0.33
SCN9A Q15858 1/20 0.33
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL13506622 0.92 LMNA (0.46) PDE4BLMNAWNT3AMEN1KMT2A
SCHEMBL13505588 0.89 PDE4B (0.52) PDE4BLMNAMEN1HPGDKMT2A
SCHEMBL6865532 0.88 GPR52 (0.40) GPR52WNT3ARORCP2RX7SCN9A
SCHEMBL13505604 0.86 GPR52 (0.45) GPR52WNT3ASMN1; SMN2
SCHEMBL6865232 0.81 GPR52 (0.48) GPR52SMN1; SMN2
SCHEMBL13506119 0.79 GPR52 (0.40) LMNAGPR52WNT3ASLC2A1RORC
SCHEMBL13506492 0.79 GPR52 (0.41) PDE4BLMNAGPR52AURKARPS6KB1
SCHEMBL13506389 0.77 PDE4B (0.46) PDE4BLMNAGPR52MEN1HPGD
SCHEMBL13506443 0.76 GPR52 (0.42) LMNAGPR52AURKARPS6KB1KMT2A
SCHEMBL6864528 0.75 GPR52 (0.55) GPR52

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
EP-2518054-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2012-10-31 EP disclosed
WO-2011078360-A1 AMIDE COMPOUND 武田薬品工業株式会社 (JP) 2011-06-30 WO disclosed