SCHEMBL31228871

SCHEMBL31228871

CSN(C(=O)[C@@H](N)[C@@H](C)O)c1ncnc2c1ncn2[C@]1(C(N)=O)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPEPPS P55786 8/20 0.35
▸ ANPEP P15144 8/20 0.35
▸ ADORA2A P29274 2/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ TARS1 P26639 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL29835052 0.90 ADORA2A (0.38) NPEPPSANPEPADORA2AADORA2BSMN1; SMN2
SCHEMBL26981136 0.90 ADORA2A (0.38) NPEPPSANPEPADORA2AADORA2BSMN1; SMN2
SCHEMBL31406536 0.84 ADORA2A (0.36) NPEPPSANPEPADORA2AADORA2BSMN1; SMN2
SCHEMBL28344455 0.84 ADORA2A (0.36) NPEPPSANPEPADORA2AADORA2BSMN1; SMN2
SCHEMBL29435121 0.81 TARS1 (0.38) TARS1TP53LMNAHTT
SCHEMBL16987222 0.81 TARS1 (0.38) TARS1TP53LMNAHTT
SCHEMBL28564130 0.81 TARS1 (0.38) TARS1TP53LMNAHTT
SCHEMBL29407144 0.81 KDM4E (0.31) NPEPPSANPEP
SCHEMBL29043762 0.81 KDM4E (0.31) NPEPPSANPEP
SCHEMBL30042226 0.78 PI4KA (0.39) ADORA2AADORA2BADORA3SMN1; SMN2TP53

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-118949075-A Treatment of cilia disease 埃泽瑞斯公司 2024-11-15 — — CN disclosed
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