SCHEMBL20130786

SCHEMBL20130786

Nc1nc(=O)n([C@H]2C[C@@]3(O)C(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]3O2)cc1C#CCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCD1 P51178 1/20 0.44
TDP1 Q9NUW8 1/20 0.40
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TPSAB1 Q15661 1/20 0.39
RNF168 Q8IYW5 1/20 0.39
SENP1 Q9P0U3 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
FLI1 Q01543 1/20 0.37
EWSR1 Q01844 1/20 0.37
CAPN1 P07384 2/20 0.37
WDR5 P61964 1/20 0.37
FGF1 P05230 1/20 0.37
FGF2 P09038 1/20 0.37
VEGFA P15692 1/20 0.37
HPSE Q9Y251 1/20 0.37
ADORA3 P0DMS8 2/20 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
SCHEMBL20130674 0.88 PLCD1 (0.43) PLCD1TDP1F2PRSS1PRSS2
SCHEMBL20130787 0.85 PLCD1 (0.48) PLCD1TDP1F2PRSS1PRSS2
SCHEMBL19647020 0.80 PLCD1 (0.53) PLCD1TDP1F2PRSS1PRSS2
SCHEMBL22192982 0.79 PLCD1 (0.46) PLCD1TDP1F2PRSS1PRSS2
SCHEMBL10433089 0.78 PLCD1 (0.41) PLCD1TDP1F2RNF168
SCHEMBL20129628 0.78 FGF1 (0.51) PLCD1TDP1F2PRSS1PRSS2
SCHEMBL20129498 0.78 FGF1 (0.51) PLCD1TDP1F2PRSS1PRSS2
SCHEMBL19647035 0.77 TDP1 (0.46) PLCD1TDP1F2PRSS1PRSS2
SCHEMBL30763662 0.76 PLCD1 (0.44) PLCD1TDP1F2PRSS1PRSS2
SCHEMBL29592014 0.76 PLCD1 (0.44) PLCD1TDP1F2PRSS1PRSS2

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
US-10683531-B2 Methods of nucleic acid sample preparation for analysis of cell-free DNA ArcherDX, Inc. (US) 2020-06-16 US disclosed
US-20180127807-A1 METHODS OF NUCLEIC ACID SAMPLE PREPARATION FOR ANALYSIS OF CELL-FREE DNA ArcherDX, Inc. (US) 2018-05-10 US disclosed