SCHEMBL4219487

SCHEMBL4219487

COc1ccc2[nH]c(S(=O)(=O)c3ccc(C)cc3)c(CCI)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
HTR1D P28221 3/20 0.45
HTR6 P50406 3/20 0.45
HTR1A P08908 2/20 0.44
HTR7 P34969 2/20 0.44
HTR5A P47898 2/20 0.44
AKR1C2 P52895 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR1E P28566 1/20 0.44
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL4223932 0.89 MAPT (0.41) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL4430853 0.86 ALDH1A1 (0.60) MAPTALDH1A1KDM4EHPGDHTR1D
SCHEMBL4233003 0.86 MAPT (0.50) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL4543849 0.85 RAPGEF4 (0.37) MAPTALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL4224408 0.84 POLB (0.48) MAPTHPGDNPC1LMNARAB9A
SCHEMBL4219372 0.84 LMNA (0.41) MAPTHPGDLMNAMEN1GAA
SCHEMBL4225055 0.84 SMN1; SMN2 (0.44) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL4225100 0.77 MAPT (0.40) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL4233057 0.77 GPR17 (0.38) MAPTSMN1; SMN2LMNAMEN1GAA
SCHEMBL4223918 0.77 POLB (0.43) MAPTSMN1; SMN2NPC1LMNARAB9A

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-2009006089-A2 A2 ADENOSINE RECEPTOR AGONISTS GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-01-08 WO disclosed