SCHEMBL3225959

SCHEMBL3225959

NC(=O)Cc1ccc(Nc2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
PDE4B Q07343 4/20 0.46
PDE4D Q08499 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43
SRC P12931 1/20 0.42
WEE1 P30291 1/20 0.42
TYK2 P29597 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL13802505 0.85 NR1H4 (0.53) CA2PDE4BPDE4DCNR1KDM4E
SCHEMBL3225952 0.83 MAPT (0.40) CNR1NPSR1KDM4EHTT
SCHEMBL27463865 0.79 MAPT (0.58) CA2PDE4BNPSR1KDM4ETHRB
SCHEMBL1579077 0.77 SHMT1 (0.47) CNR1CNR2HTT
SCHEMBL625849 0.77 ALDH1A1 (0.47) CA2
SCHEMBL3340425 0.76 CA2 (0.46) CA2HTT
SCHEMBL799654 0.76 CA2 (0.64) CA2
Hydrochloric Acid SCHEMBL3341453 0.74 IDO1 (0.45) CA2HTT
Hydrochloric Acid SCHEMBL8185829 0.74 CA2 (0.61) CA2
Hydrochloric Acid SCHEMBL3818358 0.74 CA2 (0.61) CA2

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
WO-2010010380-A1 POTASSIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-01-28 WO disclosed