SCHEMBL8959002

SCHEMBL8959002

COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C[C@@H]2OP(O)NCCC#N)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DUT P33316 6/20 0.42
TYMP P19971 2/20 0.37
P2RY14 Q15391 2/20 0.33
TYMS P04818 1/20 0.33
P2RY2 P41231 1/20 0.32
P2RY4 P51582 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RNASE1 P07998 1/20 0.30

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
SCHEMBL9391435 0.89 RNASE1 (0.43) TYMSRNASE1
SCHEMBL9393718 0.86 TYMP (0.37) TYMPP2RY2P2RY4
SCHEMBL9393004 0.83 TYMP (0.47) TYMPP2RY2P2RY4
SCHEMBL30820589 0.83 DUT (0.37) DUTTYMPP2RY14TYMSP2RY2
SCHEMBL19840575 0.82 DUT (0.43) DUTTYMPP2RY14TYMSMEN1
SCHEMBL14062471 0.80 DUT (0.47) DUTTYMPP2RY14TYMSMEN1
SCHEMBL9391408 0.80 TYMP (0.44) TYMP
SCHEMBL19841219 0.80 DUT (0.60) DUTTYMPP2RY14TYMSP2RY2
SCHEMBL912656 0.80 DUT (0.60) DUTTYMPP2RY14TYMSP2RY2
SCHEMBL14403996 0.80 DUT (0.60) DUTTYMPP2RY14TYMSP2RY2

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-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
WO-1994020523-A1 TUMOR TARGETING WITH L-ENANTIOMERIC OLIGONUCLEOTIDE CONJUGATES OF IMMUNOREAGENTS AND OF CHELATED RADIONUCLIDES THE WELLCOME FOUNDATION LIMITED (GB) 1994-09-15 WO disclosed