SCHEMBL8470473

SCHEMBL8470473

Nc1nc(Cl)c2ncn([C@@H]3CO[C@H](COC(=O)c4ccccc4)S3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.39
▸ HINT1 P49773 1/20 0.38
▸ HDAC1 Q13547 3/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC6 Q9UBN7 3/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ ADORA3 P0DMS8 2/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ ADORA2B P29275 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ STING1 Q86WV6 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL8469418 1.00 NT5E (0.39) NT5EHINT1HDAC1HDAC2HDAC6
SCHEMBL8471133 0.87 LMNA (0.43) LMNASTING1
SCHEMBL8470556 0.87 LMNA (0.43) LMNASTING1
SCHEMBL9202661 0.81 NT5E (0.41) NT5EHINT1HDAC1HDAC2HDAC6
SCHEMBL5435997 0.81 NT5E (0.41) NT5EHINT1HDAC1HDAC2HDAC6
SCHEMBL5216981 0.81 NT5E (0.41) NT5EHINT1HDAC1HDAC2HDAC6
SCHEMBL6788532 0.81 NT5E (0.41) NT5EHINT1HDAC1HDAC2HDAC6
SCHEMBL14023347 0.81 NT5E (0.41) NT5EHINT1HDAC1HDAC2HDAC6
SCHEMBL5216986 0.81 NT5E (0.41) NT5EHINT1HDAC1HDAC2HDAC6
SCHEMBL5425043 0.81 NT5E (0.41) NT5EHINT1HDAC1HDAC2HDAC6

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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