SCHEMBL21901656

SCHEMBL21901656

COc1ccc(C(OCC2OC(n3cc(C4CN(C)NN4)c(=O)[nH]c3=O)CC2OP(OCCCN)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.33
TYMS P04818 1/20 0.32
HSP90AA1 P07900 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
SCHEMBL21901664 0.90 TYMP (0.32) TYMPTYMSHSP90AA1
SCHEMBL21901662 0.88 TYMS (0.35) TYMPTYMSHSP90AA1
SCHEMBL21901663 0.88 RNASE1 (0.40)
SCHEMBL21901655 0.88 TYMS (0.35) TYMPTYMSHSP90AA1
SCHEMBL21901665 0.86 TYMP (0.32) TYMPTYMSHSP90AA1
SCHEMBL21901667 0.83 RNASE1 (0.41) TYMS
SCHEMBL13213625 0.81 RNASE1 (0.42) TYMPTYMS
SCHEMBL92609 0.81 TYMP (0.32) TYMPTYMSHSP90AA1
SCHEMBL12990512 0.80 RNASE1 (0.40) TYMPTYMS
SCHEMBL30358015 0.80 HSP90AA1 (0.40) TYMPTYMSHSP90AA1

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