SCHEMBL16239336

SCHEMBL16239336

Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc[c]cc2)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
POLB P06746 3/20 0.50
TTR P02766 1/20 0.46
GFER P55789 1/20 0.46
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 3/20 0.45
GAA P10253 3/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
DUSP26 Q9BV47 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
CDC25A P30304 1/20 0.44
CDC25B P30305 1/20 0.44

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
SCHEMBL15085668 0.92 MAPT (0.53) MAPTPOLBTTRGFERALDH1A1
SCHEMBL1792573 0.88 MAPT (0.60) MAPTPOLBTTRALDH1A1KDM4E
SCHEMBL1792664 0.86 CDC25A (0.60) MAPTPOLBALDH1A1KDM4EMEN1
SCHEMBL15095999 0.84 MEN1 (0.61) MAPTPOLBTTRALDH1A1KDM4E
SCHEMBL12292987 0.82 MEN1 (0.54) MAPTPOLBTTRGFERALDH1A1
SCHEMBL12372466 0.82 TTR (0.50) MAPTPOLBTTRGFERALDH1A1
SCHEMBL1795225 0.81 TTR (0.72) MAPTPOLBTTRGFERALDH1A1
SCHEMBL1790490 0.81 MAPT (0.63) MAPTPOLBTTRGFERALDH1A1
SCHEMBL1788225 0.81 MAPT (0.56) MAPTPOLBTTRALDH1A1KDM4E
SCHEMBL23876430 0.79 LMNA (0.58) MAPTALDH1A1KDM4EMEN1KMT2A

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-8889664-B2 Phosphatidylinositol 3-kinase inhibitors and methods of their use EXELIXIS, INC. (US) 2014-11-18 US disclosed