SCHEMBL4196782

SCHEMBL4196782

O=S(=O)(NCCN1CCCCC1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.73
HTR7 P34969 2/20 0.63
MAPT P10636 2/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.58
MBTD1 Q05BQ5 1/20 0.58
PARP1 P09874 2/20 0.57
KDM1A O60341 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SFRP1 Q8N474 1/20 0.55

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
SCHEMBL6568486 0.98 SIGMAR1 (0.72) SIGMAR1HTR7MAPTKDM4ELMNA
SCHEMBL5198457 0.89 HTR7 (0.74) SIGMAR1HTR7KDM4ELMNASMN1; SMN2
SCHEMBL4617661 0.89 SFRP1 (0.61) SIGMAR1HTR7MAPTKDM4ELMNA
SCHEMBL17374138 0.86 HTR7 (0.66) SIGMAR1HTR7KDM4ELMNASMN1; SMN2
SCHEMBL3889428 0.84 HTR7 (0.68) SIGMAR1HTR7MAPTKDM4ELMNA
SCHEMBL3719058 0.84 PKM (0.69) HTR7MEN1KMT2A
SCHEMBL29172771 0.84 HTR7 (0.60) SIGMAR1HTR7KDM4ELMNASMN1; SMN2
SCHEMBL6291901 0.84 SIGMAR1 (0.69) SIGMAR1MAPTKDM4ELMNAGAA
SCHEMBL4769081 0.84 SIGMAR1 (0.74) SIGMAR1MAPTKDM4ELMNAGAA
SCHEMBL3387201 0.84 SIGMAR1 (0.74) SIGMAR1MAPTKDM4ELMNAGAA

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-2009022171-A1 PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS ASTRAZENECA AB (SE) 2009-02-19 WO disclosed