SCHEMBL9017501

SCHEMBL9017501

COc1ccc(CC(=O)Nc2nc3c(ncn3[C@H]3C[C@H](O)[C@@H](COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)O3)c(=O)[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYMP P19971 8/20 0.58
POLA1 P09884 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TYMS P04818 1/20 0.38
NT5E P21589 1/20 0.38
P2RY2 P41231 1/20 0.37
P2RY4 P51582 1/20 0.37
P2RY6 Q15077 1/20 0.37

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
SCHEMBL9238078 0.99 TYMP (0.58) TYMPPOLA1TAS1R3TAS1R1KDM4E
SCHEMBL9017508 0.97 TYMP (0.55) TYMPPOLA1TAS1R3TAS1R1KDM4E
SCHEMBL9017505 0.94 TYMP (0.53) TYMPPOLA1TAS1R3TAS1R1KDM4E
SCHEMBL32677371 0.92 TYMP (0.58) TYMPPOLA1TAS1R3TAS1R1KDM4E
Hypophosphorous Acid SCHEMBL9017574 0.92 TYMP (0.50) TYMPPOLA1TAS1R3TAS1R1KDM4E
SCHEMBL31342955 0.91 TYMP (0.61) TYMPPOLA1TAS1R3TAS1R1KDM4E
SCHEMBL12714672 0.90 TYMP (0.59) TYMPPOLA1TAS1R3TAS1R1KDM4E
SCHEMBL21828784 0.90 TYMP (0.59) TYMPPOLA1TAS1R3TAS1R1KDM4E
SCHEMBL2281663 0.90 TYMP (0.59) TYMPPOLA1TAS1R3TAS1R1KDM4E
SCHEMBL31556051 0.90 TYMP (0.59) TYMPPOLA1TAS1R3TAS1R1KDM4E

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-0749436-A1 COMPOSITIONS AND METHODS FOR USE IN THE SYNTHESIS OF OLIGONUCLEOTIDES BECKMAN INSTRUMENTS, INC. (US) 1996-12-27 EP disclosed
WO-1995024413-A1 COMPOSITIONS AND METHODS FOR USE IN THE SYNTHESIS OF OLIGONUCLEOTIDES BECKMAN INSTRUMENTS, INC. (US) 1995-09-14 WO disclosed