SCHEMBL6507562

SCHEMBL6507562

COc1cccc(N2CCN(c3ccc(S(=O)(=O)c4cc5c(cc4OC)CCN(C)CC5)cc3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
HTR6 P50406 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
HTR7 P34969 2/20 0.45
POLB P06746 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
MMP14 P50281 1/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
DRD2 P14416 1/20 0.44
KCNH2 Q12809 1/20 0.44
LMNA P02545 2/20 0.43
HSP90AA1 P07900 1/20 0.43
HTT P42858 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43

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
SCHEMBL6500880 0.91 LMNA (0.51) MAPTHTR6L3MBTL1HTR7POLB
SCHEMBL6502583 0.91 LMNA (0.48) MAPTHTR6L3MBTL1POLBALDH1A1
SCHEMBL6501509 0.91 HTR6 (0.46) MAPTHTR6POLBKMT2AALDH1A1
SCHEMBL6510748 0.87 HTR6 (0.46) HTR6POLBKMT2AALDH1A1HPGD
SCHEMBL6509242 0.86 MAOB (0.54) MAPTHTR6HTR7KMT2ALMNA
SCHEMBL6504564 0.86 HTR6 (0.54) MAPTHTR6L3MBTL1DRD2LMNA
SCHEMBL6511504 0.85 DRD2 (0.52) MAPTL3MBTL1POLBMMP2MMP13
SCHEMBL6508620 0.85 MAPT (0.49) MAPTHTR6L3MBTL1HTR7DRD2
Hydrochloric Acid SCHEMBL6504357 0.85 MAOB (0.53) MAPTHTR6HTR7KMT2ALMNA
SCHEMBL6506073 0.83 LMNA (0.44) MAPTHTR6L3MBTL1HTR7POLB

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
WO-2005014578-A1 PHENYLSULFONYL COMPOUNDS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-17 WO claimed
WO-2005014578-A1 PHENYLSULFONYL COMPOUNDS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-17 WO disclosed