SCHEMBL8958859

SCHEMBL8958859

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2OP(N)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMP P19971 10/20 0.64
HPGD P15428 1/20 0.51
HINT1 P49773 4/20 0.49
GSK3A P49840 2/20 0.47
RPS6KA3 P51812 2/20 0.47
MAPK14 Q16539 2/20 0.47
NT5E P21589 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45

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
SCHEMBL6420722 0.90 TYMP (0.79) TYMPHPGDHINT1GSK3ARPS6KA3
SCHEMBL5960204 0.89 TYMP (0.69) TYMPHPGDHINT1GSK3ARPS6KA3
SCHEMBL18042134 0.88 TYMP (0.68) TYMPHPGDHINT1GSK3ARPS6KA3
SCHEMBL1738400 0.88 TYMP (0.68) TYMPHPGDHINT1GSK3ARPS6KA3
SCHEMBL16702978 0.88 TYMP (0.68) TYMPHPGDHINT1GSK3ARPS6KA3
SCHEMBL7201354 0.87 TYMP (0.62) TYMPHPGDHINT1GSK3ARPS6KA3
SCHEMBL28827051 0.87 TYMP (0.65) TYMPHPGDHINT1GSK3ARPS6KA3
SCHEMBL21905181 0.86 TYMP (0.67) TYMPHPGDHINT1GSK3ARPS6KA3
SCHEMBL34927 0.85 TYMP (0.64) TYMPHINT1GSK3ARPS6KA3MAPK14
SCHEMBL17223100 0.85 TYMP (0.64) TYMPHPGDHINT1GSK3ARPS6KA3

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
EP-0691981-A1 TUMOR TARGETING WITH L-ENANTIOMERIC OLIGONUCLEOTIDE CONJUGATES OF IMMUNOREAGENTS AND OF CHELATED RADIONUCLIDES THE WELLCOME FOUNDATION LIMITED (GB) 1996-01-17 EP disclosed