SCHEMBL2400643

SCHEMBL2400643

CN(CCCNC1=CC(=O)c2nc(-c3ccc4ccccc4c3)sc2C1=O)CCCNC1=CC(=O)c2nc(-c3ccc4ccccc4c3)sc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.39
CDC25A P30304 2/20 0.38
CDC25B P30305 2/20 0.38
CDC25C P30307 2/20 0.38
MALT1 Q9UDY8 1/20 0.36
APAF1 O14727 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
ACKR3 P25106 1/20 0.34
OPRM1 P35372 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
TPSAB1 Q15661 1/20 0.33
RAD52 P43351 1/20 0.32
CYP11B2 P19099 1/20 0.32
FABP4 P15090 1/20 0.32
PIM1 P11309 1/20 0.32
PRMT1 Q99873 1/20 0.31
MAPK14 Q16539 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
SCHEMBL4859113 0.90 CDC25A (0.49) S100A4CDC25ACDC25BCDC25CMALT1
SCHEMBL2400277 0.83 RET (0.40) S100A4CDC25ACDC25BCDC25CALDH1A1
SCHEMBL4865657 0.78 CDC25A (0.52) CDC25ACDC25BCDC25CMALT1ALDH1A1
SCHEMBL2404183 0.78 CDC25A (0.53) CDC25ACDC25BCDC25CALDH1A1PRMT1
SCHEMBL2400614 0.77 CDC25A (0.62) S100A4CDC25ACDC25BCDC25CMALT1
SCHEMBL1919013 0.74 CDC25A (0.52) CDC25ACDC25BCDC25CMALT1ALDH1A1
SCHEMBL1918571 0.74 CDC25A (0.52) CDC25ACDC25BCDC25CMALT1ALDH1A1
SCHEMBL2399120 0.73 ALOX5 (0.45) CDC25ACDC25BIDO1TDO2
SCHEMBL4865048 0.73 CDC25B (0.48) S100A4CDC25ACDC25BCDC25CMALT1
SCHEMBL4865798 0.71 MALT1 (0.53) S100A4CDC25ACDC25BCDC25CMALT1

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-8017637-B2 Inhibitors of cdc phosphatases IPSEN PHARMA S.A.S. (FR) 2011-09-13 US disclosed
EP-1831209-B1 CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA (FR) 2009-08-12 EP disclosed