SCHEMBL30208502

SCHEMBL30208502

N=C(N)NCCCC(=O)C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 2/20 0.56
▸ ADORA2A P29274 1/20 0.55
▸ ADORA2B P29275 1/20 0.55
▸ ADORA1 P30542 3/20 0.54
▸ LMNA P02545 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ PMP22 Q01453 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ ADORA3 P0DMS8 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ NPY1R P25929 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ NPY2R P49146 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ MAPK1 P28482 1/20 0.53

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
SCHEMBL30208503 1.00 SLC29A1 (0.56) SLC29A1ADORA2AADORA2BADORA1LMNA
SCHEMBL30208525 0.97 SLC29A1 (0.57) SLC29A1ADORA2AADORA2BADORA1ADORA3
SCHEMBL31538793 0.84 TSHR (0.58) SLC29A1ADORA2AADORA2BADORA1PMP22
SCHEMBL31286196 0.84 ADORA3 (0.67) SLC29A1ADORA2AADORA2BADORA1LMNA
SCHEMBL30208550 0.83 SLC29A1 (0.51) SLC29A1ADORA3
SCHEMBL30208628 0.83 LMNA (0.54) SLC29A1ADORA2AADORA2BADORA1LMNA
SCHEMBL30208535 0.82 HPGD (0.54) ADORA2AADORA2BADORA1ADORA3
SCHEMBL28477260 0.82 ADORA2A (0.67) SLC29A1ADORA2AADORA2BADORA1LMNA
Inosine SCHEMBL6764071 0.79 NNMT (0.59) —
Inosine SCHEMBL27610579 0.79 NNMT (0.59) —

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
WO-2023001982-A1 MR1 LIGANDS AND PHARMACEUTICAL COMPOSITIONS FOR IMMUNOMODULATION UNIVERSITÄT BASEL (CH) 2023-01-26 — — WO claimed
WO-2023001982-A1 MR1 LIGANDS AND PHARMACEUTICAL COMPOSITIONS FOR IMMUNOMODULATION UNIVERSITÄT BASEL (CH) 2023-01-26 — — WO disclosed
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