SCHEMBL10696433

SCHEMBL10696433

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 6/20 0.41
▸ SLC6A11 P48066 4/20 0.34
▸ SLC6A1 P30531 2/20 0.34
▸ XDH P47989 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SLC6A12 P48065 1/20 0.31
▸ SLC6A13 Q9NSD5 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
SCHEMBL10394453 0.89 TYMP (0.44) TYMPSLC6A11SLC6A1XDHMEN1
SCHEMBL10394454 0.89 TYMP (0.44) TYMPSLC6A11SLC6A1XDHMEN1
SCHEMBL10696436 0.82 TYMP (0.36) TYMP
SCHEMBL10394925 0.81 TYMP (0.38) TYMPSLC6A11SLC6A1MEN1TP53
SCHEMBL10394456 0.74 SLC6A11 (0.36) TYMPSLC6A11SLC6A1MEN1TP53
SCHEMBL10394332 0.72 TYMP (0.54) TYMPSLC6A11SLC6A1XDHMEN1
SCHEMBL10394457 0.71 PNP (0.40) TYMPXDHMEN1KMT2A
SCHEMBL10394333 0.71 TYMP (0.46) TYMP
SCHEMBL10394331 0.69 TYMP (0.37) TYMPSLC6A11SLC6A1MEN1TP53
SCHEMBL30631035 0.69 TYMP (0.43) TYMPXDHMEN1KMT2A

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
EP-0278501-A2 Nucleotide analogs, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-08-17 — — EP disclosed
Send feedback