SCHEMBL4564217

SCHEMBL4564217

O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(Cl)cc1)c1cc[c]cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.64
CDC25A P30304 1/20 0.64
CDC25B P30305 1/20 0.64
MAPT P10636 9/20 0.62
TP53 P04637 1/20 0.62
POLB P06746 2/20 0.60
ALDH1A1 P00352 2/20 0.60
GFER P55789 1/20 0.57
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
KDM4E B2RXH2 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 1/20 0.55
DUSP26 Q9BV47 1/20 0.55
GAA P10253 3/20 0.54
TTR P02766 1/20 0.54
HPGD P15428 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
EGFR P00533 1/20 0.52

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
SCHEMBL1789288 0.91 CDC25A (0.75) BACE1CDC25ACDC25BMAPTTP53
SCHEMBL3135247 0.90 MAPT (0.70) BACE1CDC25ACDC25BMAPTTP53
SCHEMBL4564720 0.88 MAPT (0.58) BACE1MAPTPOLBALDH1A1GFER
SCHEMBL1790930 0.87 CDC25A (0.77) BACE1CDC25ACDC25BMAPTTP53
SCHEMBL1789256 0.85 TTR (0.73) BACE1CDC25ACDC25BMAPTTP53
SCHEMBL1788293 0.85 MEN1 (0.68) BACE1CDC25ACDC25BMAPTTP53
SCHEMBL1790988 0.85 TTR (0.73) BACE1CDC25ACDC25BMAPTTP53
SCHEMBL14050702 0.85 CDC25A (0.67) BACE1CDC25ACDC25BMAPTTP53
SCHEMBL1793225 0.85 MAPT (0.71) BACE1CDC25ACDC25BMAPTTP53
SCHEMBL1790028 0.85 MEN1 (0.73) BACE1CDC25ACDC25BMAPTTP53

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed