SCHEMBL8470470

SCHEMBL8470470

Nc1nc(Cl)c2ncn([C@@H]3CO[C@H](CO)S3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ AHCY P23526 1/20 0.40
▸ PDE4D Q08499 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PNP P00491 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ SLC29A1 Q99808 1/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ NR1I2 O75469 1/20 0.36

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
SCHEMBL9035740 1.00 NT5E (0.41) NT5ELMNATP53AHCYPDE4D
SCHEMBL8469441 0.88 AHCY (0.52) NT5ELMNATP53AHCYPDE4D
SCHEMBL9035660 0.88 AHCY (0.52) NT5ELMNATP53AHCYPDE4D
SCHEMBL8469767 0.82 PDE4A (0.41) LMNATP53AHCYPDE4DSMN1; SMN2
SCHEMBL8469585 0.82 PDE4A (0.41) LMNATP53AHCYPDE4DSMN1; SMN2
SCHEMBL8165796 0.82 HSP90AA1 (0.40) NT5ELMNATP53AHCYPDE4D
SCHEMBL8469418 0.81 NT5E (0.39) NT5ELMNAADORA3ADORA1HDAC6
SCHEMBL8470473 0.81 NT5E (0.39) NT5ELMNAADORA3ADORA1HDAC6
SCHEMBL9706998 0.80 STING1 (0.51) PNPPDE3AADORA3
SCHEMBL9706999 0.80 STING1 (0.51) PNPPDE3AADORA3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2960164-B2 — — 1999-10-06 — — JP claimed
EP-0560794-B1 SUBSTITUTED 1,3-OXATHIOLANES WITH ANTIVIRAL PROPERTIES IAF BIOCHEM INT (CA) 1996-09-18 — — EP claimed
WO-1992008717-A1 SUBSTITUTED 1,3-OXATHIOLANES AND SUBSTITUTED 1,3-DITHIOLANES WITH ANTIVIRAL PROPERTIES BIOCHEM PHARMA INC. (CA) 1992-05-29 — — WO claimed
EP-0560794-B1 SUBSTITUTED 1,3-OXATHIOLANES WITH ANTIVIRAL PROPERTIES IAF BIOCHEM INT (CA) 1996-09-18 — — EP disclosed
EP-0560794-A1 SUBSTITUTED 1,3-OXATHIOLANES AND SUBSTITUTED 1,3-DITHIOLANES WITH ANTIVIRAL PROPERTIES. IAF BIOCHEM INT (CA) 1993-09-22 — — EP disclosed
WO-1992008717-A1 SUBSTITUTED 1,3-OXATHIOLANES AND SUBSTITUTED 1,3-DITHIOLANES WITH ANTIVIRAL PROPERTIES BIOCHEM PHARMA INC. (CA) 1992-05-29 — — WO disclosed
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