SCHEMBL8720385

SCHEMBL8720385

CCOP(=O)(COCCn1cnc2c(=O)[nH]c(NC(C)=O)nc21)OCC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
TSHR P16473 1/20 0.61
KMT2A Q03164 1/20 0.61
POLB P06746 2/20 0.49
POLA1 P09884 2/20 0.48
POLG P54098 2/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
HPRT1 P00492 5/20 0.44
PNP P00491 3/20 0.43
ABCB11 O95342 1/20 0.42
FAP Q12884 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42

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
SCHEMBL8717128 0.82 POLB (0.68) TSHRPOLBPOLA1POLGHPRT1
SCHEMBL8720417 0.81 MEN1 (0.58) MEN1TSHRKMT2APOLBPOLA1
SCHEMBL9021892 0.78 TSHR (0.81) MEN1TSHRKMT2APOLGTAS1R3
SCHEMBL8444939 0.78 MEN1 (0.80) MEN1TSHRKMT2APOLGTAS1R3
SCHEMBL28030184 0.77 POLB (0.56) MEN1TSHRKMT2APOLBPOLA1
SCHEMBL7819447 0.76 MEN1 (1.00) MEN1TSHRKMT2APOLGTAS1R3
SCHEMBL7813656 0.76 MEN1 (0.74) MEN1TSHRKMT2ATAS1R3TAS1R1
SCHEMBL8447491 0.76 MEN1 (0.83) MEN1TSHRKMT2APOLGTAS1R3
SCHEMBL24316171 0.75 POLB (0.67) TSHRPOLBPOLA1POLGHPRT1
Bromide SCHEMBL7816191 0.75 MEN1 (0.73) MEN1TSHRKMT2ATAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5854228-A Antiviral phosphonomethoxyalkylene purine and pyrimidine derivatives INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1998-12-29 US disclosed
US-5650510-A VIRICIDES OR ANTITUMOR AGENTS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1997-07-22 US disclosed
EP-0269947-B2 Antiviral phosphonomethoxyalkylene purine and pyrimidine derivatives ACAD OF SCIENCE CZECH REPUBLIC (CS) 1996-10-16 EP disclosed
EP-0269947-A1 Antiviral phosphonomethoxyalkylene purine and pyrimidine derivatives INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CS) 1988-06-08 EP disclosed