SCHEMBL8470556

SCHEMBL8470556

O=C(OC[C@H]1OC[C@H](n2cnc3c(Cl)ncnc32)S1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.43
▸ TYMP P19971 1/20 0.42
▸ STING1 Q86WV6 2/20 0.39
▸ ABCB1 P08183 1/20 0.37
▸ P2RX3 P56373 1/20 0.36
▸ P2RX4 Q99571 1/20 0.36
▸ P2RX2 Q9UBL9 1/20 0.36
▸ AHCY P23526 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 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
SCHEMBL8471133 1.00 LMNA (0.43) LMNATYMPSTING1ABCB1P2RX3
SCHEMBL8469418 0.87 NT5E (0.39) LMNASTING1
SCHEMBL8470473 0.87 NT5E (0.39) LMNASTING1
SCHEMBL7705279 0.81 LMNA (0.45) LMNATYMPSTING1ABCB1P2RX3
SCHEMBL14580367 0.81 LMNA (0.45) LMNATYMPSTING1ABCB1P2RX3
SCHEMBL7699396 0.81 LMNA (0.45) LMNATYMPSTING1ABCB1P2RX3
SCHEMBL8469585 0.79 PDE4A (0.41) LMNATYMPAHCYP2RX7PDE4A
SCHEMBL8469767 0.79 PDE4A (0.41) LMNATYMPAHCYP2RX7PDE4A
SCHEMBL6427736 0.77 LMNA (0.46) LMNATYMPSTING1ABCB1P2RX3
SCHEMBL20059072 0.76 TYMP (0.50) LMNATYMPSTING1ABCB1P2RX3

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 7 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
EP-0560794-A1 SUBSTITUTED 1,3-OXATHIOLANES AND SUBSTITUTED 1,3-DITHIOLANES WITH ANTIVIRAL PROPERTIES. IAF BIOCHEM INT (CA) 1993-09-22 — — 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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