SCHEMBL8445552

SCHEMBL8445552

CC(C)[C@H](N)C(=O)O[C@H]1[C@H](O)[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]1CO

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 6/20 0.58
GSK3A P49840 2/20 0.53
RPS6KA3 P51812 2/20 0.53
MAPK14 Q16539 2/20 0.53
NT5E P21589 1/20 0.52
HPGD P15428 2/20 0.52
PNP P00491 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
PDE3A Q14432 1/20 0.49
MAPK1 P28482 1/20 0.49
HBB P68871 1/20 0.49
TGM2 P21980 1/20 0.49
KRAS P01116 1/20 0.47

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
SCHEMBL8450059 0.85 HINT1 (0.73) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL20444711 0.85 HINT1 (0.61) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL16359926 0.85 HINT1 (0.61) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL1639395 0.85 HINT1 (0.61) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL23425431 0.85 HINT1 (0.61) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL23679991 0.85 HINT1 (0.61) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL17972356 0.85 HINT1 (0.61) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL17976623 0.85 HINT1 (0.61) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL22883381 0.85 HINT1 (0.61) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL1374872 0.85 HINT1 (0.61) HINT1GSK3ARPS6KA3MAPK14NT5E

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