SCHEMBL9353752

SCHEMBL9353752

O=c1[nH]c(=S)n(COCCO)c(-c2ccccc2)c1I

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SIRT2 Q8IXJ6 10/20 0.38
SIRT1 Q96EB6 3/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PNP P00491 2/20 0.35
PSD A5PKW4 1/20 0.33

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
SCHEMBL9353989 0.86 UPP1 (0.42) UPP1TDP1ALDH1A1NPSR1RXFP1
SCHEMBL5572945 0.85 UPP1 (0.41) UPP1TDP1ALDH1A1NPSR1RXFP1
SCHEMBL8760250 0.84 SIRT2 (0.47) UPP1TDP1ALDH1A1NPSR1RXFP1
SCHEMBL9357346 0.83 SIRT2 (0.56) UPP1SIRT2SIRT1
SCHEMBL9354029 0.82 SIRT2 (0.41) UPP1TDP1ALDH1A1NPSR1RXFP1
SCHEMBL8760939 0.82 UPP1 (0.39) UPP1TDP1ALDH1A1NPSR1RXFP1
SCHEMBL9353729 0.82 UPP1 (0.39) UPP1TDP1ALDH1A1NPSR1RXFP1
SCHEMBL9357951 0.82 TDP1 (0.44) UPP1TDP1ALDH1A1NPSR1RXFP1
SCHEMBL9357439 0.81 UPP1 (0.38) UPP1TDP1ALDH1A1NPSR1RXFP1
SCHEMBL9353895 0.81 UPP1 (0.38) UPP1TDP1ALDH1A1NPSR1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0371139-B1 6-SUBSTITUTED ACYCLICPYRIMIDINE NUCLEOSIDE DERIVATIVES AND ANTIVIRAL AGENTS CONTAINING SAME AS ACTIVE INGREDIENTS MITSUBISHI CHEM IND (JP) 1994-10-12 EP disclosed
US-5112835-A 6-SUBSTITUTED ACYCLOPYRIMIDINE NUCLEOSIDE DERIVATIVES AND ANTIVIRAL AGENTS CONTAINING THE SAME AS ACTIVE INGREDIENT THEREOF MITSUBISHI KASEI CORPORATION (JP) 1992-05-12 US disclosed
EP-0371139-A1 6-SUBSTITUTED ACYCLICPYRIMIDINE NUCLEOSIDE DERIVATIVES AND ANTIVIRAL AGENTS CONTAINING SAME AS ACTIVE INGREDIENTS Mitsubishi Chemical Corporation (JP) 1990-06-06 EP disclosed