SCHEMBL21901664

SCHEMBL21901664

COc1ccc(C(OCC2OC(n3cc(C4CNNN4)c(=O)[nH]c3=O)CC2OP(OCCCN)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.32
TYMS P04818 1/20 0.32
HSP90AA1 P07900 1/20 0.30
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
SCHEMBL21901656 0.90 TYMP (0.33) TYMPTYMSHSP90AA1
SCHEMBL21901662 0.90 TYMS (0.35) TYMPTYMSHSP90AA1RNASE1
SCHEMBL21901663 0.89 RNASE1 (0.40) RNASE1
SCHEMBL21901655 0.88 TYMS (0.35) TYMPTYMSHSP90AA1RNASE1
SCHEMBL21901665 0.87 TYMP (0.32) TYMPTYMSHSP90AA1
SCHEMBL21901667 0.84 RNASE1 (0.41) TYMSRNASE1
SCHEMBL13213625 0.82 RNASE1 (0.42) TYMPTYMSRNASE1
SCHEMBL92609 0.81 TYMP (0.32) TYMPTYMSHSP90AA1RNASE1
SCHEMBL24263898 0.81 TYMS (0.35) TYMPTYMSHSP90AA1RNASE1
SCHEMBL30358015 0.80 HSP90AA1 (0.40) TYMPTYMSHSP90AA1RNASE1

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-2020081744-A1 IMMUNOMODULATING POLYNUCLEOTIDE CONJUGATES AND METHODS OF USE TOLLNINE, INC. (US) 2020-04-23 WO disclosed