SCHEMBL9020271

SCHEMBL9020271

Nc1nc2c(c(=O)[nH]1)NCN2[C@@H]1C[C@H](CO)[C@H]1COP(=O)(O)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 8/20 0.39
▸ ALDH1A1 P00352 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ EIF4E P06730 2/20 0.31
▸ NOS1 P29475 2/20 0.31
▸ P2RY2 P41231 1/20 0.31
▸ P2RY6 Q15077 1/20 0.31
▸ P2RY14 Q15391 1/20 0.31

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
SCHEMBL9020330 0.95 HPRT1 (0.40) HPRT1ALDH1A1EIF4ENOS1P2RY2
SCHEMBL9020254 0.93 HPRT1 (0.39) HPRT1ALDH1A1IRAK4EIF4ENOS1
SCHEMBL9020359 0.93 HPRT1 (0.38) HPRT1EIF4E
SCHEMBL9020473 0.92 HPRT1 (0.38) HPRT1P2RY14
SCHEMBL9020219 0.92 HPRT1 (0.38) HPRT1
SCHEMBL9020310 0.92 HPRT1 (0.38) HPRT1EIF4EP2RY2
SCHEMBL9020093 0.91 HPRT1 (0.36) HPRT1IRAK4
SCHEMBL9020065 0.91 HPRT1 (0.36) HPRT1EIF4EP2RY2P2RY6P2RY14
SCHEMBL9020309 0.90 HPRT1 (0.37) HPRT1IRAK4EIF4E
SCHEMBL9020288 0.89 HPRT1 (0.37) HPRT1IRAK4

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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