SCHEMBL9205122

SCHEMBL9205122

Nc1cc2c(cnn2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ADRB1 P08588 1/20 0.45
▸ DNMT1 P26358 1/20 0.45
▸ TK2 O00142 1/20 0.44
▸ ALOX12 P18054 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ POLA1 P09884 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
SCHEMBL9205135 1.00 TK1 (0.45) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL23786492 0.81 ADRB1 (0.47) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL14570606 0.81 ADRB1 (0.47) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL12123502 0.81 ADRB1 (0.47) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL889695 0.81 ADRB1 (0.47) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL9211927 0.80 TK1 (0.50) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL9211924 0.80 TK1 (0.50) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL8343204 0.79 ADRB1 (0.57) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL1738505 0.79 ADRB1 (0.57) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL7663097 0.77 DNMT1 (0.47) TK1LMNASMN1; SMN2ADRB1DNMT1

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
EP-0286028-B1 Derivatives of disazapurine nucleosides, process for their preparation and their use in the sequence analysis of nucleic acids and as antiviral agents BOEHRINGER MANNHEIM GMBH (DE) 1995-06-28 — — EP claimed
EP-0286028-B1 Derivatives of disazapurine nucleosides, process for their preparation and their use in the sequence analysis of nucleic acids and as antiviral agents BOEHRINGER MANNHEIM GMBH (DE) 1995-06-28 — — EP disclosed
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