SCHEMBL8997976

SCHEMBL8997976

O=c1[nH]cc([Hg]Cl)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPYD Q12882 5/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
ATAD2 Q6PL18 1/20 0.46
CYP19A1 P11511 1/20 0.46
TSHR P16473 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46
HTT P42858 1/20 0.46
HBB P68871 1/20 0.46
PMP22 Q01453 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4C Q9H3R0 1/20 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
SCHEMBL67366 0.69
SCHEMBL65085 0.69
SCHEMBL5801644 0.67 ALDH1A1 (0.64) DPYDMAPTALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL29256236 0.67 DPYD (0.50) DPYDMAPTALDH1A1LMNAGAA
SCHEMBL18783134 0.67 DPYD (0.50) DPYDMAPTALDH1A1LMNAGAA
Potassium SCHEMBL29524710 0.67 DPYD (0.50) DPYDMAPTALDH1A1LMNAGAA
SCHEMBL6573722 0.65
SCHEMBL2584919 0.64 LMNA (0.52) DPYDMAPTALDH1A1LMNAGAA
SCHEMBL8537479 0.64 MAPT (0.52) DPYDMAPTALDH1A1LMNAGAA
SCHEMBL11417188 0.64 DPYD (0.46) DPYDMAPTALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5521163-A TREATMENT OF HERPES VIRUS WITH 1'-DEOXY-5-ETHYL-4'-THIO-BETA URIDINE UNIVERSITY OF BIRMINGHAM (GB) 1996-05-28 US disclosed
EP-0658166-A1 ANTIVIRAL PYRIMIDINE NUCLEOSIDES THE UNIVERSITY OF BIRMINGHAM (GB) 1995-06-21 EP disclosed
US-5356882-A Treating herpes virus UNIVERSITY OF BIRMINGHAM (GB) 1994-10-18 US disclosed
WO-1994005687-A1 ANTIVIRAL PYRIMIDINE NUCLEOSIDES UNIVERSITY OF BIRMINGHAM (GB) 1994-03-17 WO disclosed
WO-1991001326-A1 ANTIVIRAL PYRIMIDINE NUCLEOSIDES UNIVERSITY OF BIRMINGHAM (GB) 1991-02-07 WO disclosed
EP-0409575-A1 Antiviral pyrimidine nucleosides THE UNIVERSITY OF BIRMINGHAM (GB) 1991-01-23 EP disclosed