SCHEMBL4730469

SCHEMBL4730469

Cc1cn([C@H]2C[C@H](O)[C@@H](COC(=O)c3ccccc3)O2)c(=O)n(C(=O)c2ccccc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
RNASE1 P07998 1/20 0.44
NPC1 O15118 1/20 0.39
TYMS P04818 1/20 0.39
PPM1B O75688 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL26233449 0.88 RNASE1 (0.42) RNASE1
SCHEMBL9443821 0.87 RNASE1 (0.48) RNASE1
SCHEMBL21563855 0.87 RNASE1 (0.48) RNASE1
SCHEMBL537189 0.87 RNASE1 (0.48) RNASE1
SCHEMBL21563858 0.85 TOP2A (0.43) RNASE1TYMS
SCHEMBL21545839 0.85 TOP2A (0.43) RNASE1TYMS
SCHEMBL4731815 0.84 RNASE1 (0.44) ALDH1A1HTTRNASE1NPC1PPM1B
SCHEMBL4727124 0.84 RNASE1 (0.43) ALDH1A1HTTRNASE1NPC1PPM1B
SCHEMBL25456618 0.83 TK1 (0.38) ALDH1A1RNASE1
SCHEMBL29897125 0.81 RNASE1 (0.68) RNASE1NPC1POLB

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
WO-2008037568-A2 REVERSIBLE TERMINATORS FOR EFFICIENT SEQUENCING BY SYNTHESIS QUIATECH AB (SE) 2008-04-03 WO disclosed