SCHEMBL8622006

SCHEMBL8622006

CNC(CCN)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GBA1 P04062 1/20 0.39
CA2 P00918 4/20 0.38
CA9 Q16790 3/20 0.38
CA1 P00915 3/20 0.38
CA12 O43570 2/20 0.38
CA7 P43166 2/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
P2RY12 Q9H244 1/20 0.37
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36

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
SCHEMBL13290817 0.80 ALDH1A1 (0.43) GAASMN1; SMN2GBA1CA2CA9
SCHEMBL12130688 0.80 GBA1 (0.45) GAAGBA1CA2CA9CA1
SCHEMBL314517 0.79 C5AR1 (0.37) GAASMN1; SMN2GBA1CA2CA9
SCHEMBL313436 0.78 GAA (0.34) GAASMN1; SMN2GBA1CA2CA9
SCHEMBL312916 0.77 CA12 (0.35) GAASMN1; SMN2GBA1CA2CA9
SCHEMBL20161716 0.74 GAA (0.47) GAASMN1; SMN2GBA1CA2CA9
SCHEMBL7654159 0.72 CA2 (0.44) GAASMN1; SMN2GBA1CA2CA9
SCHEMBL19615017 0.72 CA1 (0.44) GAASMN1; SMN2GBA1CA2CA9
SCHEMBL5245093 0.72 GBA1 (0.46) GAASMN1; SMN2GBA1CA2CA9
SCHEMBL5830519 0.72 GBA1 (0.46) GAASMN1; SMN2GBA1CA2CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558047-B1 Copolymer having amino group and process for production thereof DAI ICHI KOGYO SEIYAKU CO LTD (JP) 1998-05-20 EP disclosed
EP-0558047-A2 Copolymer having amino group and process for production thereof DAI-ICHI KOGYO SEIYAKU Co., Ltd. (JP) 1993-09-01 EP disclosed