SCHEMBL7516609

SCHEMBL7516609

O=POCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.65
PLCD1 P51178 1/20 0.65
F2 P00734 1/20 0.57
PRSS1 P07477 1/20 0.57
PRSS2 P07478 1/20 0.57
PRSS3 P35030 1/20 0.57
TPSAB1 Q15661 1/20 0.57
FOLH1 Q04609 2/20 0.56
CNR1 P21554 2/20 0.56
PKM P14618 2/20 0.56
MEN1 O00255 1/20 0.56
ABL1 P00519 1/20 0.56
LMNA P02545 1/20 0.56
IDE P14735 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
RIN1 Q13671 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55

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
SCHEMBL18779801 0.89 TDP1 (0.78) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL12675370 0.88 TDP1 (0.67) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL13497919 0.88 TDP1 (0.67) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL17039697 0.88 F2 (0.71) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL8508187 0.87 TDP1 (0.71) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL10308270 0.86 TDP1 (0.74) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL10140277 0.86 TDP1 (0.65) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL10140256 0.86 TDP1 (0.65) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL8532651 0.86 TDP1 (0.68) TDP1PLCD1F2PRSS1PRSS2
SCHEMBL28477644 0.86 TDP1 (0.68) TDP1PLCD1F2PRSS1PRSS2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832292-B1 DNA POLYMERASE EXTENSION ASSAY FOR INFLUENZA VIRUS ENDONUCLEASE MERCK & CO INC (US) 2002-01-30 EP disclosed
EP-0833945-B1 DNA POLYMERASE EXTENSION ASSAY MERCK & CO INC (US) 2002-01-30 EP disclosed
US-6100028-A DETECTING SITE-SPECIFIC RIBOZYME ACTIVITY IN SAMPLE BY MIXING SUBSTRATE, SAMPLE AND INHIBITOR TO GENERATE RNA PRODUCT, HYBRIDIZING TO DNA, ADDING RADIOLABELED NUCLEOTIDE, ADDING DNA POLYMERASE, FILTERING TO RETAIN POLYMERASE PRODUCT, MEASURING MERCK & CO., INC. (US) 2000-08-08 US disclosed
EP-0833945-A4 DNA POLYMERASE EXTENSION ASSAY MERCK & CO INC (US) 1999-05-19 EP disclosed
EP-0833945-A1 DNA POLYMERASE EXTENSION ASSAY Merck & Co., Inc. (US) 1998-04-08 EP disclosed
US-5660989-A DNA polymerase extension assay for influenza virus endonuclease MERCK & CO., INC. (US) 1997-08-26 US disclosed
WO-1996040994-A1 DNA POLYMERASE EXTENSION ASSAY MERCK & CO., INC. (US) 1996-12-19 WO disclosed