SCHEMBL30208574

SCHEMBL30208574

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
ALDH1A1 P00352 1/20 0.60
GLA P06280 1/20 0.60
PMP22 Q01453 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPC1 O15118 1/20 0.60
NPY1R P25929 1/20 0.60
HTT P42858 1/20 0.60
NPY2R P49146 1/20 0.60
RAB9A P51151 1/20 0.60
SLC29A1 Q99808 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
CYP1A2 P05177 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
MAPK1 P28482 1/20 0.60
CYP2C19 P33261 1/20 0.60
THPO P40225 1/20 0.60
ADORA2A P29274 2/20 0.60
ADORA2B P29275 2/20 0.60

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
SCHEMBL30208584 0.93 ADORA2A (0.59) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL30208537 0.91 LMNA (0.58) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL2480941 0.88 ADORA2A (0.62) ALDH1A1PMP22TSHRNFKB1ADORA2A
SCHEMBL854222 0.88 ADORA3 (0.70) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL30208541 0.87 ADORA2A (0.58) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL4997219 0.87 P2RY12 (0.69) SMN1; SMN2ADORA1
SCHEMBL29047905 0.86 ADORA2A (0.60) ALDH1A1PMP22TSHRNFKB1ADORA2A
SCHEMBL29047902 0.86 ADORA2A (0.60) ALDH1A1PMP22TSHRNFKB1ADORA2A
SCHEMBL3499237 0.85 ADORA2A (0.64) ALDH1A1PMP22TSHRNFKB1ADORA2A
SCHEMBL3499233 0.85 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