SCHEMBL30208628

SCHEMBL30208628

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.54
▸ TSHR P16473 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ RXFP1 Q9HBX9 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ PRMT5 O14744 1/20 0.54
▸ WDR77 Q9BQA1 1/20 0.54
▸ ADORA2A P29274 1/20 0.54
▸ ADORA2B P29275 1/20 0.54
▸ SLC29A1 Q99808 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ GLA P06280 1/20 0.52
▸ PMP22 Q01453 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ ADORA3 P0DMS8 1/20 0.52
▸ ADORA1 P30542 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ NPY1R P25929 1/20 0.52
▸ NPY2R P49146 1/20 0.52

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
SCHEMBL30208544 0.85 SLC29A1 (0.49) SLC29A1ADORA3
SCHEMBL31286196 0.83 ADORA3 (0.67) LMNATSHRHTTRXFP1ADORA2A
SCHEMBL30208502 0.83 SLC29A1 (0.56) LMNATSHRHTTRXFP1ADORA2A
SCHEMBL30208503 0.83 SLC29A1 (0.56) LMNATSHRHTTRXFP1ADORA2A
SCHEMBL30208559 0.83 HPGD (0.54) ADORA2AADORA2BADORA3ADORA1
SCHEMBL30208525 0.82 SLC29A1 (0.57) ADORA2AADORA2BSLC29A1ADORA3ADORA1
SCHEMBL28477260 0.81 ADORA2A (0.67) LMNATSHRHTTRXFP1ADORA2A
SCHEMBL28872479 0.81 ADORA2A (0.64) LMNATSHRHTTRXFP1ADORA2A
SCHEMBL28758971 0.78 ADORA2A (0.65) LMNATSHRHTTRXFP1ADORA2A
SCHEMBL24920112 0.77 ADORA2A (0.67) LMNATSHRHTTRXFP1TP53

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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