SCHEMBL27430561

SCHEMBL27430561

C[C@H]1O[C@@H](n2cnc3c(NCc4ccc(S(C)(=O)=O)cc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 6/20 0.76
▸ ADORA3 P0DMS8 2/20 0.63
▸ CYP3A4 P08684 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ NFKB1 P19838 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ PMP22 Q01453 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59

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
SCHEMBL27433002 0.92 SLC29A1 (0.75) SLC29A1ADORA3CYP3A4TSHRNFKB1
SCHEMBL27429819 0.89 SLC29A1 (0.71) SLC29A1ADORA3CYP3A4TSHRNFKB1
SCHEMBL27437734 0.86 ADORA3 (0.76) SLC29A1ADORA3TSHR
SCHEMBL27434733 0.84 SLC29A1 (0.71) SLC29A1ADORA3CYP3A4TSHRNFKB1
SCHEMBL27432338 0.83 SLC29A1 (0.70) SLC29A1ADORA3
SCHEMBL27429365 0.82 SLC29A1 (0.69) SLC29A1ADORA3
SCHEMBL27435641 0.82 SLC29A1 (0.69) SLC29A1ADORA3CYP3A4TSHRNFKB1
SCHEMBL27433457 0.81 ADORA3 (0.53) SLC29A1ADORA3
SCHEMBL27429372 0.81 SLC29A1 (0.67) SLC29A1ADORA3CYP3A4TSHRNFKB1
SCHEMBL27435555 0.81 SLC29A1 (0.67) SLC29A1ADORA3TSHR

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
WO-2024134541-A1 HETEROCYCLIC COMPOUNDS AS ENT INHIBITORS AND COMPOUNDS FOR USE IN THE TREATMENT OF CANCERS iTeos Belgium SA (BE) 2024-06-27 — — WO disclosed
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