SCHEMBL10394456

SCHEMBL10394456

COc1ccc(C(OC[C@@]2(N3CNc4c3nc(N)[nH]c4=O)CC[C@H](O)C2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A11 P48066 7/20 0.36
▸ SLC6A1 P30531 3/20 0.36
▸ TYMP P19971 1/20 0.35
▸ SLC6A12 P48065 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TP53 P04637 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
▸ HPRT1 P00492 3/20 0.31
▸ TNKS O95271 4/20 0.31
▸ PARP1 P09874 4/20 0.31
▸ TNKS2 Q9H2K2 4/20 0.31
▸ NPY2R P49146 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
SCHEMBL10394454 0.80 TYMP (0.44) SLC6A11SLC6A1TYMPMEN1KMT2A
SCHEMBL10394453 0.80 TYMP (0.44) SLC6A11SLC6A1TYMPMEN1KMT2A
SCHEMBL10762637 0.79 SLC6A9 (0.34) SLC6A11SLC6A1TYMPHPRT1TNKS
SCHEMBL10696433 0.74 TYMP (0.41) SLC6A11SLC6A1TYMPSLC6A12MEN1
SCHEMBL10394925 0.67 TYMP (0.38) SLC6A11SLC6A1TYMPSLC6A12MEN1
SCHEMBL10508847 0.64 TYMS (0.51) HPRT1
SCHEMBL30898731 0.63 TYMP (0.51) TYMP
SCHEMBL30140997 0.63 TYMP (0.51) TYMP
SCHEMBL9871051 0.63 HPRT1 (0.44) CYP1A2HPRT1
SCHEMBL712026 0.63 HPRT1 (0.50) SLC6A1HPRT1

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
US-4968674-A Antiviral carbocyclic purine nucleosides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-11-06 — — US disclosed
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