SCHEMBL10394457

SCHEMBL10394457

CO[C@@H]1C[C@](COC(c2ccccc2)(c2ccccc2)c2ccccc2)(n2cnc3c(=O)[nH]c(N)nc32)C[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 5/20 0.40
▸ TYMP P19971 3/20 0.40
▸ XDH P47989 4/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ EDNRA P25101 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ HBB P68871 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HINT1 P49773 1/20 0.36
▸ HPRT1 P00492 1/20 0.35

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
SCHEMBL10696436 0.89 TYMP (0.36) TYMP
SCHEMBL10394926 0.87 TYMP (0.51) PNPTYMPADORA3HPRT1
SCHEMBL10394454 0.82 TYMP (0.44) PNPTYMPXDHADORA3MEN1
SCHEMBL10394453 0.82 TYMP (0.44) PNPTYMPXDHADORA3MEN1
SCHEMBL30631035 0.73 TYMP (0.43) PNPTYMPXDHADORA3MEN1
SCHEMBL10394333 0.72 TYMP (0.46) PNPTYMPADORA3
SCHEMBL7897645 0.71 TYMP (0.50) PNPTYMPXDHMEN1KMT2A
SCHEMBL16401943 0.71 TYMP (0.49) TYMPXDHMEN1KMT2ATAAR1
SCHEMBL10696433 0.71 TYMP (0.41) TYMPXDHMEN1KMT2A
SCHEMBL7597668 0.71 ADORA3 (0.50) PNPXDHADORA3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4968674-A Antiviral carbocyclic purine nucleosides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-11-06 — — US disclosed
EP-0236935-A2 Carboxylic purine nucleosides, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-09-16 — — EP disclosed
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