SCHEMBL9537822

SCHEMBL9537822

CCCCCCCCCCCCCCCC(=O)n1cnc2c(=S)[nH]c(N)nc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.42
SQOR Q9Y6N5 3/20 0.39
PNP P00491 7/20 0.39
TK1 P04183 1/20 0.36
HPRT1 P00492 4/20 0.35
GSK3B P49841 1/20 0.34
MEN1 O00255 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
SCHEMBL5347874 0.87 PNP (0.50) KMT2ASQORPNPTK1HPRT1
SCHEMBL7094400 0.77 TK1 (0.50) KMT2APNPTK1HPRT1MEN1
SCHEMBL27569986 0.75 TK1 (0.46) KMT2APNPTK1HPRT1MEN1
SCHEMBL5468657 0.74 GSK3B (0.63) GSK3B
SCHEMBL29601253 0.73 HDAC1 (0.44) SQORGSK3B
SCHEMBL1404481 0.73 GAA (0.38) KMT2AGAAPNPTK1HPRT1
SCHEMBL29601208 0.72 HDAC1 (0.43) SQORGSK3B
SCHEMBL29601213 0.71 HDAC1 (0.42) SQORGSK3B
SCHEMBL7165218 0.71 SQOR (0.45) KMT2AGAASQORPNPHPRT1
SCHEMBL29601164 0.70 HDAC1 (0.35) KMT2AGAASQORGSK3BMEN1

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
WO-1993000099-A2 USE OF PYRIMIDINE AND PURINE NUCLEOSIDES FOR THE PROPHYLAXIS AND/OR TREATMENT OF INFECTIONS CAUSED BY ADENOVIRUSES Max-Delbrück-Centrum für Molekulare Medizin (DE) 1993-01-07 WO disclosed