SCHEMBL10394331

SCHEMBL10394331

COc1ccc(C(OCC2(n3cnc4c(O)ncnc43)CCCC2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 2/20 0.37
▸ SLC6A11 P48066 5/20 0.36
▸ SLC6A1 P30531 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TP53 P04637 2/20 0.32
▸ SLC6A12 P48065 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SLC6A13 Q9NSD5 1/20 0.32
▸ PI4KA P42356 2/20 0.32
▸ PI4K2B Q8TCG2 2/20 0.32
▸ PI4K2A Q9BTU6 2/20 0.32
▸ PI4KB Q9UBF8 2/20 0.32
▸ NSD3 Q9BZ95 1/20 0.31
▸ SLC2A1 P11166 1/20 0.31
▸ SLC2A2 P11168 1/20 0.31
▸ SLC2A3 P11169 1/20 0.31
▸ FLT4 P35916 1/20 0.31

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
SCHEMBL10394925 0.88 TYMP (0.38) TYMPSLC6A11SLC6A1HPGDTP53
SCHEMBL10394332 0.82 TYMP (0.54) TYMPSLC6A11SLC6A1HPGDTP53
SCHEMBL10706957 0.79 TYMP (0.35) TYMPSLC6A11SLC6A1HPGDSLC6A12
SCHEMBL10760950 0.72 TYMP (0.33) TYMPSLC6A11SLC6A1HPGD
SCHEMBL23630131 0.70 TYMP (0.72) TYMP
SCHEMBL20579728 0.70 TYMP (0.72) TYMP
SCHEMBL10394454 0.69 TYMP (0.44) TYMPSLC6A11SLC6A1HPGDMEN1
SCHEMBL10696433 0.69 TYMP (0.41) TYMPSLC6A11SLC6A1TP53SLC6A12
SCHEMBL10394453 0.69 TYMP (0.44) TYMPSLC6A11SLC6A1HPGDMEN1
SCHEMBL7867925 0.65 CCNB2 (0.39) TYMPHPGDMEN1KMT2API4KA

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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