SCHEMBL9006329

SCHEMBL9006329

COc1ccc2nc3[nH]nc(C)c3c(SCC(O)CO)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.41
HPGD P15428 6/20 0.40
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NMT2 O60551 4/20 0.40
NMT1 P30419 4/20 0.40
DYRK3 O43781 2/20 0.40
CLK1 P49759 2/20 0.40
CLK2 P49760 2/20 0.40
CLK3 P49761 2/20 0.40
DYRK1A Q13627 2/20 0.40
DYRK2 Q92630 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
DYRK4 Q9NR20 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
AURKA O14965 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL9006085 0.82 POLB (0.49) NUDT1HPGDALDH1A1KMT2AMEN1
SCHEMBL9006235 0.79 HPGD (0.49) HPGDALDH1A1KMT2AMEN1NMT2
SCHEMBL9006179 0.77 PPARA (0.46) NUDT1HPGDALDH1A1KMT2AMEN1
SCHEMBL18079552 0.75 AURKA (0.52) NUDT1HPGDALDH1A1KMT2AMEN1
SCHEMBL9006232 0.73 AURKA (0.50) NUDT1HPGDALDH1A1KMT2AMEN1
SCHEMBL22608957 0.71 NUDT1 (0.50) NUDT1HPGDALDH1A1KMT2AMEN1
SCHEMBL9006315 0.69 AURKA (0.46) NUDT1HPGDALDH1A1KMT2AMEN1
SCHEMBL15574808 0.66 NUDT1 (0.60) NUDT1HPGDALDH1A1KMT2AMEN1
SCHEMBL15574603 0.65 NUDT1 (0.60) NUDT1KMT2AMEN1DYRK3CLK1
SCHEMBL1058068 0.65 ALK (0.46) HPGDALDH1A1KMT2AMEN1DYRK1A

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-5506236-A TREATING HERPES VIRUS INFECTIONS SCHERING CORPORATION 1996-04-09 US disclosed