SCHEMBL30208537

SCHEMBL30208537

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
ALDH1A1 P00352 1/20 0.58
GLA P06280 1/20 0.58
PMP22 Q01453 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPC1 O15118 1/20 0.58
NPY1R P25929 1/20 0.58
HTT P42858 1/20 0.58
NPY2R P49146 1/20 0.58
RAB9A P51151 1/20 0.58
SLC29A1 Q99808 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
CYP1A2 P05177 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP2C19 P33261 1/20 0.58
THPO P40225 1/20 0.58
ADORA2A P29274 2/20 0.58
ADORA2B P29275 2/20 0.58

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
SCHEMBL30208541 0.93 ADORA2A (0.58) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL30208574 0.91 LMNA (0.60) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL30208584 0.87 ADORA2A (0.59) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL2480941 0.86 ADORA2A (0.62) ALDH1A1PMP22TSHRNFKB1ADORA2A
SCHEMBL854222 0.86 ADORA3 (0.70) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL29047905 0.84 ADORA2A (0.60) ALDH1A1PMP22TSHRNFKB1ADORA2A
SCHEMBL29047902 0.84 ADORA2A (0.60) ALDH1A1PMP22TSHRNFKB1ADORA2A
SCHEMBL30208465 0.84 HIF1A (0.53) SLC29A1ADORA3
SCHEMBL3499233 0.84 ADORA2A (0.64) ALDH1A1PMP22TSHRNFKB1ADORA2A
SCHEMBL3499237 0.84 ADORA2A (0.64) ALDH1A1PMP22TSHRNFKB1ADORA2A

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