SCHEMBL4711770

SCHEMBL4711770

O=S(=O)(O)/C=C/c1c2c(nn1Cc1ccccc1)CCS(=O)(=O)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.34
PDE4B Q07343 1/20 0.34
TSHR P16473 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PIK3R5 Q8WYR1 1/20 0.33
PIK3R3 Q92569 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 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
SCHEMBL3894535 0.82 HDAC6 (0.36) MAPTHPGDTSHRHDAC6HDAC3
SCHEMBL5285565 0.82 HDAC6 (0.36) MAPTHPGDTSHRHDAC6HDAC3
SCHEMBL3897246 0.79 HTR2C (0.35) HTR2CHTR2BALDH1A1MAPTHPGD
SCHEMBL3897247 0.79 HTR2C (0.35) HTR2CHTR2BALDH1A1MAPTHPGD
SCHEMBL13866956 0.78 EPHX2 (0.33) ALDH1A1
SCHEMBL4709012 0.77 MEN1 (0.34) HTR2CHTR2BALDH1A1MAPTHPGD
SCHEMBL4097112 0.68 MEN1 (0.43) MAPTHPGDPDE4BTSHRMEN1
SCHEMBL4097113 0.68 MEN1 (0.43) MAPTHPGDPDE4BTSHRMEN1
SCHEMBL3898095 0.68 HDAC6 (0.43) HPGDTSHRHDAC6PIK3CDPIK3R2
SCHEMBL3889272 0.65 HDAC10 (0.35) HTR2CHTR2BALDH1A1MAPTHPGD

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
EP-1863479-B1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS CROSS REFERENCE TO RELATED APPLICATIONS JANSSEN PHARMACEUTICA NV (BE) 2008-12-10 EP disclosed