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
SCHEMBL29172771 0.84 HTR7 (0.60) SIGMAR1HTR7KDM4ELMNASMN1; SMN2
SCHEMBL3889428 0.84 HTR7 (0.68) SIGMAR1HTR7MAPTKDM4ELMNA
SCHEMBL3719058 0.84 PKM (0.69) HTR7MEN1KMT2A
SCHEMBL4769081 0.84 SIGMAR1 (0.74) SIGMAR1MAPTKDM4ELMNAGAA
SCHEMBL3387201 0.84 SIGMAR1 (0.74) SIGMAR1MAPTKDM4ELMNAGAA
SCHEMBL6291901 0.84 SIGMAR1 (0.69) 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
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