SCHEMBL6676536

SCHEMBL6676536

O=S(=O)(c1ccc(Cl)cc1)N(CCO)CCO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.68
GAA P10253 2/20 0.58
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
S1PR2 O95136 1/20 0.58
S1PR4 O95977 1/20 0.58
LMNA P02545 1/20 0.58
GLA P06280 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
S1PR1 P21453 1/20 0.58
ATM Q13315 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ERAP1 Q9NZ08 1/20 0.58
VCAM1 P19320 1/20 0.56
NPC1 O15118 1/20 0.55
CA12 O43570 3/20 0.53
CA9 Q16790 3/20 0.53
CA1 P00915 2/20 0.53

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
SCHEMBL3626535 0.82 CA12 (0.50) SMN1; SMN2GAAALDH1A1KDM4ES1PR2
SCHEMBL8602183 0.81 CA12 (0.59) SMN1; SMN2LMNAMAPTNPSR1TDP1
SCHEMBL11576737 0.81 CA12 (0.59) SMN1; SMN2GAAALDH1A1KDM4ELMNA
SCHEMBL218536 0.81 SMN1; SMN2 (0.68) SMN1; SMN2GAAALDH1A1KDM4EGLA
SCHEMBL6257441 0.81 SMN1; SMN2 (0.68) SMN1; SMN2GAAALDH1A1LMNATDP1
SCHEMBL2835133 0.81 SMN1; SMN2 (0.68) SMN1; SMN2GAAALDH1A1KDM4ES1PR2
SCHEMBL8157313 0.81 SMN1; SMN2 (0.68) SMN1; SMN2GAAVCAM1NPC1CA12
SCHEMBL3622125 0.80 SMN1; SMN2 (0.67) SMN1; SMN2GAAALDH1A1KDM4ELMNA
SCHEMBL15177296 0.79 SMN1; SMN2 (0.66) SMN1; SMN2GAAALDH1A1KDM4EGLA
SCHEMBL8192690 0.79 SMN1; SMN2 (0.66) SMN1; SMN2GAAALDH1A1KDM4EGLA

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-2004037159-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING FAT METABOLISM OBETHERAPY BIOTECHNOLOGY (FR) 2004-05-06 WO disclosed