SCHEMBL9211454

SCHEMBL9211454

OC[C@H]1O[C@H](n2ccc3c(Cl)nc(Cl)cc32)C[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ PNP P00491 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ ADRB1 P08588 1/20 0.44
▸ DNMT1 P26358 1/20 0.44
▸ PIM1 P11309 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ CSNK2A3 Q8NEV1 1/20 0.41
▸ TK1 P04183 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
SCHEMBL9211446 1.00 LMNA (0.45) LMNASMN1; SMN2PNPTP53HTT
SCHEMBL1795053 0.82 PNP (0.46) LMNASMN1; SMN2PNPTP53HTT
SCHEMBL20691354 0.75 HIF1A (0.52) LMNASMN1; SMN2PNPTP53HTT
SCHEMBL12733983 0.75 TK1 (0.50) LMNASMN1; SMN2TK1
SCHEMBL9211924 0.75 TK1 (0.50) LMNASMN1; SMN2ADRB1DNMT1TK1
SCHEMBL9211927 0.75 TK1 (0.50) LMNASMN1; SMN2ADRB1DNMT1TK1
SCHEMBL6439746 0.75 ADORA2A (0.47) PDE4DPDE3A
SCHEMBL23982125 0.74 ADRB1 (0.47) LMNASMN1; SMN2PNPTP53HTT
SCHEMBL22333925 0.74 ADRB1 (0.47) LMNASMN1; SMN2PNPTP53HTT
SCHEMBL22334012 0.74 ADRB1 (0.47) LMNASMN1; SMN2PNPTP53HTT

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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