SCHEMBL8284045

SCHEMBL8284045

COc1ccc(N(Cc2cccnc2)C2CCN(S(=O)(=O)c3ccccc3)CC2)nc1C[C@@H]1CCOC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
MEN1 O00255 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
NAMPT P43490 4/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 1/20 0.36

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) KMT2ATDP1POLBMEN1LMNA
SCHEMBL2906139 0.86 KMT2A (0.41) KMT2ATDP1POLBNPC1MEN1
SCHEMBL8285836 0.85 GPBAR1 (0.38) GPBAR1
SCHEMBL8284814 0.84 CTSL (0.41) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL8284044 0.84 KMT2A (0.40) KMT2ATDP1POLBPDE4APDE4B
SCHEMBL8284774 0.83 SLC6A4 (0.35) PDE4APDE4BPDE4CPDE4DGPBAR1
SCHEMBL8284052 0.80 PDE4A (0.38) NPSR1PDE4APDE4BPDE4CPDE4D
SCHEMBL8286591 0.79 CHRNB2 (0.38) KMT2APOLBMEN1PDE4APDE4B
SCHEMBL2908560 0.78 L3MBTL1 (0.43) KMT2ATDP1POLBMEN1LMNA
SCHEMBL8285678 0.75 GRM2 (0.38) KMT2AMEN1PDE4APDE4BPDE4C

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