SCHEMBL15958582

SCHEMBL15958582

COc1cc(N=Nc2cccc(S(=O)(=O)O)c2)ccc1Nc1nc(NCCS(=O)(=O)O)nc(Nc2ccc(N=Nc3cc(C(=O)O)cc(C(=O)O)c3)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 1/20 0.37
▸ RAD52 P43351 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GBA1 P04062 4/20 0.35
▸ ENPP2 Q13822 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CA14 Q9ULX7 2/20 0.33
▸ EGFR P00533 1/20 0.33
▸ IMPDH2 P12268 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.32
▸ PDE5A O76074 1/20 0.32

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
SCHEMBL14593366 0.94 MEN1 (0.36) PHLPP2RAD52NCOA3MEN1KMT2A
SCHEMBL14593265 0.92 ENPP2 (0.43) PHLPP2RAD52NCOA3MEN1KMT2A
SCHEMBL13201661 0.86 GBA1 (0.37) PHLPP2RAD52NCOA3KMT2AGBA1
SCHEMBL18820790 0.85 GBA1 (0.39) PHLPP2RAD52GBA1EGFRLRRK2
SCHEMBL14627084 0.84 PHLPP2 (0.39) PHLPP2RAD52NCOA3MEN1KMT2A
SCHEMBL14593372 0.82 KMT2A (0.38) PHLPP2MEN1KMT2AGBA1ENPP2
SCHEMBL10155970 0.81 GBA1 (0.49) RAD52GBA1
SCHEMBL14593452 0.80 PHLPP2 (0.37) PHLPP2ENPP2AURKAIMPDH2
SCHEMBL13313329 0.80 S1PR3 (0.31) GBA1CA12CA1CA2CA9
SCHEMBL14593370 0.79 PHLPP2 (0.46) PHLPP2ENPP2CA12CA1CA2

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
US-8808440-B2 Ink composition, ink for inkjet recording and inkjet recording method FUJIFILM CORPORATION (JP) 2014-08-19 — — US disclosed
Send feedback