SCHEMBL3290542

SCHEMBL3290542

Nc1cc(S(=O)(=O)c2cc(N)c(N)c(N)c2N)c(N)c(N)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
CDC25B P30305 1/20 0.38
APEX1 P27695 2/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
CA1 P00915 6/20 0.32
CA2 P00918 6/20 0.32
CA9 Q16790 5/20 0.32
CA4 P22748 3/20 0.32
HTR6 P50406 2/20 0.32
CA12 O43570 2/20 0.32
CA3 P07451 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL459805 0.81 HTR6 (0.60) GAAALDH1A1KDM4ECA1CA2
SCHEMBL11809656 0.80 TTR (0.41) GAAAPEX1CYP2C19ALDH1A1KDM4E
SCHEMBL29601465 0.73 KDM4E (0.40) GAACDC25BAPEX1CYP2C19ALDH1A1
SCHEMBL2025359 0.69 PTK2 (0.58) GAAALDH1A1MAPTTDP1
SCHEMBL15016382 0.69 CDC25B (0.61) GAACDC25BCYP2C19ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5157606 0.66 PTK2 (0.54) GAAALDH1A1MAPTPOLBTDP1
SCHEMBL7650753 0.65 CDC25B (0.44) GAACDC25BAPEX1CYP2C19ALDH1A1
SCHEMBL17774552 0.63 CA2 (0.65) GAAAPEX1CYP2C19ALDH1A1KDM4E
SCHEMBL15016362 0.62 CDC25B (0.50) GAACDC25BAPEX1CYP2C19ALDH1A1
SCHEMBL11021570 0.62 GAA (0.52) GAACDC25BALDH1A1KDM4ECA1

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
US-7723460-B2 Shape-memory resin performing remoldability and excellent in shape recovering property, and molded product composed of the cross-linked resin NEC CORPORATION (JP) 2010-05-25 US disclosed
US-20070148465-A1 Shape-memory resin performing remoldability and excellent in shape recovering property, and molded product composed of the cross-linked resin NEC CORPORATION (JP) 2007-06-28 US disclosed