SCHEMBL21901655

SCHEMBL21901655

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMS P04818 4/20 0.35
TYMP P19971 2/20 0.35
HSP90AA1 P07900 1/20 0.33
RNASE1 P07998 1/20 0.33

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
SCHEMBL21901663 0.93 RNASE1 (0.40) RNASE1
SCHEMBL21901662 0.93 TYMS (0.35) TYMSTYMPHSP90AA1RNASE1
SCHEMBL21901664 0.88 TYMP (0.32) TYMSTYMPHSP90AA1RNASE1
SCHEMBL21901667 0.88 RNASE1 (0.41) TYMSRNASE1
SCHEMBL21901665 0.88 TYMP (0.32) TYMSTYMPHSP90AA1
SCHEMBL21901656 0.88 TYMP (0.33) TYMSTYMPHSP90AA1
SCHEMBL13213625 0.86 RNASE1 (0.42) TYMSTYMPRNASE1
SCHEMBL92609 0.85 TYMP (0.32) TYMSTYMPHSP90AA1RNASE1
SCHEMBL30358015 0.84 HSP90AA1 (0.40) TYMSTYMPHSP90AA1RNASE1
SCHEMBL27206891 0.84 HSP90AA1 (0.40) TYMSTYMPHSP90AA1RNASE1

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