SCHEMBL9020126

SCHEMBL9020126

Nc1nc2c(c(=O)[nH]1)NCN2[C@@H]1C[C@H](COP(=O)(O)OCCc2ccccc2)[C@H]1CO

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 8/20 0.39
▸ EIF4E P06730 3/20 0.33
▸ KRAS P01116 1/20 0.30
▸ BACE1 P56817 1/20 0.30

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
SCHEMBL9021807 0.95 HPRT1 (0.40) HPRT1EIF4EBACE1
SCHEMBL9020094 0.94 HPRT1 (0.39) HPRT1EIF4EBACE1
SCHEMBL9020254 0.88 HPRT1 (0.39) HPRT1EIF4E
SCHEMBL9020199 0.85 HPRT1 (0.41) HPRT1
SCHEMBL9020007 0.84 HPRT1 (0.37) HPRT1EIF4E
SCHEMBL9020717 0.84 HPRT1 (0.40) HPRT1
SCHEMBL9020182 0.84 HPRT1 (0.40) HPRT1
SCHEMBL9020167 0.84 HPRT1 (0.37) HPRT1EIF4E
SCHEMBL9020330 0.83 HPRT1 (0.40) HPRT1EIF4E
SCHEMBL9020711 0.83 HPRT1 (0.38) HPRT1EIF4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0458312-B1 Novel cyclobutane derivatives NIPPON KAYAKU KK (JP) 1996-03-20 — — EP disclosed
US-5324730-A Viricides NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1994-06-28 — — US disclosed
EP-0458312-A1 Novel cyclobutane derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1991-11-27 — — EP disclosed
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