SCHEMBL10394453

SCHEMBL10394453

COc1ccc(C(OC[C@@]2(n3cnc4c(=O)[nH]c(N)nc43)CC[C@H](O)C2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 4/20 0.44
▸ XDH P47989 4/20 0.44
▸ HPGD P15428 1/20 0.39
▸ PNP P00491 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ SLC6A1 P30531 2/20 0.34
▸ HPRT1 P00492 1/20 0.34
▸ SLC6A11 P48066 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34

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 1.00 TYMP (0.44) TYMPXDHHPGDPNPMEN1
SCHEMBL10696433 0.89 TYMP (0.41) TYMPXDHMEN1KMT2ASLC6A1
SCHEMBL10394457 0.82 PNP (0.40) TYMPXDHPNPMEN1KMT2A
SCHEMBL10394925 0.81 TYMP (0.38) TYMPHPGDMEN1KMT2ASLC6A1
SCHEMBL10394456 0.80 SLC6A11 (0.36) TYMPMEN1KMT2ASLC6A1HPRT1
SCHEMBL30631035 0.79 TYMP (0.43) TYMPXDHHPGDPNPMEN1
SCHEMBL7897645 0.76 TYMP (0.50) TYMPXDHHPGDPNPMEN1
SCHEMBL10394332 0.76 TYMP (0.54) TYMPXDHHPGDMEN1KMT2A
SCHEMBL16401943 0.75 TYMP (0.49) TYMPXDHHPGDMEN1KMT2A
SCHEMBL30898731 0.75 TYMP (0.51) TYMPXDHHPGDADORA3TAAR1

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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