SCHEMBL31160198

SCHEMBL31160198

O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 2/20 0.59
▸ ADORA3 P0DMS8 3/20 0.50
▸ ADORA1 P30542 4/20 0.49
▸ LMNA P02545 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ NPY1R P25929 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ THPO P40225 1/20 0.49

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
SCHEMBL18496467 1.00 SLC29A1 (0.59) SLC29A1ADORA3ADORA1LMNAALDH1A1
SCHEMBL8619439 0.90 SLC29A1 (0.47) SLC29A1ADORA3ADORA1LMNAALDH1A1
SCHEMBL8619444 0.90 SLC29A1 (0.47) SLC29A1ADORA3ADORA1LMNAALDH1A1
SCHEMBL9023774 0.88 P2RY12 (0.49) SLC29A1ADORA3ADORA1
SCHEMBL21539900 0.87 ADORA1 (0.46) SLC29A1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL3792607 0.87 ADORA3 (0.47) SLC29A1ADORA3
SCHEMBL8889380 0.86 ADORA3 (0.47) SLC29A1ADORA3
SCHEMBL8889372 0.86 ADORA3 (0.47) SLC29A1ADORA3
SCHEMBL18496429 0.86 SLC29A1 (0.48) SLC29A1ADORA3ADORA1LMNAALDH1A1
SCHEMBL18496420 0.85 P2RY12 (0.45) SLC29A1ADORA3ADORA1LMNAALDH1A1

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
CN-118813612-A Application of compound in RNAi (ribonucleic acid interference) medicament 纳肽得(青岛)生物医药有限公司 2024-10-22 — — CN disclosed
Send feedback