SCHEMBL8445379

SCHEMBL8445379

CCCCCCCCCCCCCCCCCC(=O)OCC(CCn1cnc2c(=O)[nH]c(N)nc21)COC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 8/20 0.43
PDE3A Q14432 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.41
HBB P68871 1/20 0.41
TK1 P04183 1/20 0.40
PNP P00491 4/20 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
SCHEMBL8450120 0.94 HPRT1 (0.42) HPRT1PDE3AMEN1KMT2AMAPK1
SCHEMBL8447927 0.93 HPRT1 (0.44) HPRT1PDE3AMEN1KMT2ATK1
SCHEMBL710554 0.91 MEN1 (0.43) HPRT1PDE3AMEN1KMT2AMAPK1
SCHEMBL710555 0.91 MEN1 (0.43) HPRT1PDE3AMEN1KMT2AMAPK1
SCHEMBL712711 0.91 HPRT1 (0.41) HPRT1PDE3AMEN1KMT2AMAPK1
SCHEMBL712712 0.91 HPRT1 (0.41) HPRT1PDE3AMEN1KMT2AMAPK1
SCHEMBL8445893 0.90 PDE3A (0.54) HPRT1PDE3AMEN1KMT2AMAPK1
SCHEMBL5930142 0.86 TK1 (0.53) HPRT1MEN1KMT2ATK1PNP
SCHEMBL8446041 0.86 PDE3A (0.57) HPRT1PDE3AMEN1KMT2AMAPK1
SCHEMBL8447893 0.86 PDE3A (0.57) HPRT1PDE3AMEN1KMT2AMAPK1

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-0942916-A2 NUCLEOSIDES Medivir Aktiebolag (SE) 1999-09-22 EP disclosed
WO-1998021223-A1 NUCLEOSIDES MEDIVIR AB (SE) 1998-05-22 WO disclosed