SCHEMBL7329915

SCHEMBL7329915

CC(=O)Cn1cnc2c(=O)[nH]c(=S)[nH]c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PNP P00491 2/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 2/20 0.34
TK1 P04183 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7326392 0.85 PNP (0.49) KDM4EALDH1A1TDP1PNPPOLB
SCHEMBL5428518 0.82 GAA (0.40) KDM4EALDH1A1TDP1PNPKMT2A
SCHEMBL13728723 0.77 GAA (0.59) KDM4EALDH1A1PNPKMT2AMEN1
SCHEMBL3141045 0.76 KMT2A (0.43) KDM4EALDH1A1PNPKMT2AMEN1
SCHEMBL5429638 0.74 CYP11B2 (0.37) KDM4EALDH1A1TDP1PNPKMT2A
SCHEMBL4379221 0.73 KMT2A (0.45) KDM4EALDH1A1TDP1PNPKMT2A
SCHEMBL4090390 0.72 CYP1A2 (0.46) KDM4EALDH1A1TDP1PNPPOLB
SCHEMBL4014481 0.70 PNP (0.46) KDM4EALDH1A1TDP1PNPKMT2A
SCHEMBL6265339 0.70 TK1 (0.62) ALDH1A1PNPKMT2AMEN1TSHR
SCHEMBL5436105 0.70 ALDH1A1 (0.50) KDM4EALDH1A1TDP1KMT2AMEN1

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
EP-0485495-A1 USE OF XANTHINE-DERIVATIVES AS INHIBITORS OF INDUCED BLOOD EOSINOPHILIA Beecham Group p.l.c. (GB) 1992-05-20 EP disclosed
WO-1991001730-A2 USE OF XANTHINE-DERIVATIVES AS INHIBITORS OF INDUCED BLOOD EOSINOPHILIA BEECHAM GROUP PLC (GB) 1991-02-21 WO disclosed