SCHEMBL7663097

SCHEMBL7663097

Nc1[nH]c(=O)nc2c1cnn2[C@@H]1C[C@H](O)[C@@H](CO)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 2/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ LMNA P02545 4/20 0.42
▸ TK1 P04183 3/20 0.42
▸ TK2 O00142 1/20 0.41
▸ PNP P00491 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ POLA1 P09884 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ CDK2 P24941 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ BLM P54132 1/20 0.39

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
SCHEMBL14570606 0.85 ADRB1 (0.47) DNMT1ADRB1SMN1; SMN2LMNATK1
SCHEMBL889695 0.85 ADRB1 (0.47) DNMT1ADRB1SMN1; SMN2LMNATK1
SCHEMBL12123502 0.85 ADRB1 (0.47) DNMT1ADRB1SMN1; SMN2LMNATK1
SCHEMBL23786492 0.85 ADRB1 (0.47) DNMT1ADRB1SMN1; SMN2LMNATK1
SCHEMBL21206282 0.80 ADRB1 (0.52) DNMT1ADRB1SMN1; SMN2LMNATK1
SCHEMBL14303199 0.80 DNMT1 (0.47) DNMT1ADRB1SMN1; SMN2LMNAPNP
SCHEMBL7666938 0.78 PDE4D (0.60) DNMT1ADRB1SMN1; SMN2LMNAPNP
SCHEMBL7666946 0.78 PDE4D (0.60) DNMT1ADRB1SMN1; SMN2LMNAPNP
SCHEMBL12541656 0.78 ADRB1 (0.46) DNMT1ADRB1SMN1; SMN2LMNATK1
SCHEMBL9205122 0.77 TK1 (0.45) DNMT1ADRB1SMN1; SMN2LMNATK1

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
US-6498241-B1 2-deoxy-isoguanosines isosteric analogues and isoguanosine derivatives as well as their synthesis ROCHE DIAGNOSTICS GMBH (DE) 2002-12-24 — — US disclosed
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