SCHEMBL20133468

SCHEMBL20133468

C=C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H](CCO)n1cc(C#CCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c(N)nc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCD1 P51178 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
TPSAB1 Q15661 1/20 0.40
PRKAA2 P54646 1/20 0.39
RNF168 Q8IYW5 1/20 0.39
CNR2 P34972 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
CNR1 P21554 3/20 0.38
FOLH1 Q04609 2/20 0.37
SLC6A3 Q01959 1/20 0.37
SENP1 Q9P0U3 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL22192982 0.80 PLCD1 (0.46) PLCD1TDP1F2PRSS1PRSS2
SCHEMBL20130787 0.79 PLCD1 (0.48) PLCD1TDP1F2PRSS1PRSS2
SCHEMBL20130786 0.76 PLCD1 (0.44) PLCD1TDP1F2PRSS1PRSS2
SCHEMBL19983263 0.74 PLCD1 (0.43) PLCD1TDP1F2PRSS1PRSS2
SCHEMBL10433089 0.74 PLCD1 (0.41) PLCD1TDP1F2RNF168FOLH1
SCHEMBL19647020 0.73 PLCD1 (0.53) PLCD1TDP1F2PRSS1PRSS2
SCHEMBL20129498 0.72 FGF1 (0.51) PLCD1TDP1F2PRSS1PRSS2
SCHEMBL20129628 0.72 FGF1 (0.51) PLCD1TDP1F2PRSS1PRSS2
SCHEMBL29592014 0.72 PLCD1 (0.44) PLCD1TDP1F2PRSS1PRSS2
SCHEMBL30763662 0.72 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127806-A1 METHODS OF NUCLEIC ACID SAMPLE PREPARATION ArcherDX, Inc. (US) 2018-05-10 US disclosed