SCHEMBL8284044

SCHEMBL8284044

COc1ccc(N(Cc2cccnc2)C2CCCN(S(C)(=O)=O)C2)nc1C[C@@H]1CCOC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
PIK3CD O00329 5/20 0.38
PIK3R1 P27986 5/20 0.38
PIK3CA P42336 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE4A P27815 4/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
PIK3CB P42338 2/20 0.37
CTSL P07711 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 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
SCHEMBL8286587 0.92 L3MBTL1 (0.42) KMT2AL3MBTL1PDE4APDE4BPDE4C
SCHEMBL2907636 0.86 PDE4A (0.41) KMT2APIK3CDPIK3R1PIK3CAL3MBTL1
SCHEMBL8284814 0.86 CTSL (0.41) PDE4APDE4BPDE4CPDE4DCTSL
SCHEMBL8284045 0.84 KMT2A (0.41) KMT2AL3MBTL1PDE4APDE4BPDE4C
SCHEMBL8285836 0.82 GPBAR1 (0.38) CTSLGPBAR1TP53MAPTCHRNB2
SCHEMBL8286591 0.82 CHRNB2 (0.38) KMT2AL3MBTL1PDE4APDE4BPDE4C
SCHEMBL8284774 0.81 SLC6A4 (0.35) PDE4APDE4BPDE4CPDE4DCTSL
SCHEMBL2908560 0.78 L3MBTL1 (0.43) KMT2AL3MBTL1PDE4APDE4BPDE4C
SCHEMBL8284052 0.76 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL8284049 0.74 PTGER2 (0.38) PDE4APDE4BPDE4CPDE4DGPBAR1

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-2005061458-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2005-07-07 WO disclosed