SCHEMBL9020073

SCHEMBL9020073

CCCCCCCCOP(=O)(O)OC[C@H]1C[C@@H](N2CNc3c2nc(N)[nH]c3=O)[C@@H]1COP(=O)(O)OCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 9/20 0.41
▸ NOS1 P29475 1/20 0.40
▸ PNP P00491 7/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL9020008 1.00 HPRT1 (0.41) HPRT1NOS1PNPMEN1ALDH1A1
SCHEMBL9020331 0.95 HPRT1 (0.40) HPRT1NOS1PNPMEN1ALDH1A1
SCHEMBL9020717 0.95 HPRT1 (0.40) HPRT1NOS1PNPMEN1ALDH1A1
SCHEMBL9020376 0.95 HPRT1 (0.40) HPRT1NOS1PNPMEN1ALDH1A1
SCHEMBL9020182 0.95 HPRT1 (0.40) HPRT1NOS1PNPMEN1ALDH1A1
SCHEMBL9020162 0.93 HPRT1 (0.43) HPRT1NOS1PNP
SCHEMBL9020341 0.90 HPRT1 (0.43) HPRT1NOS1PNP
SCHEMBL9020313 0.88 HPRT1 (0.42) HPRT1NOS1
SCHEMBL9020049 0.84 HPRT1 (0.41) HPRT1PNP
SCHEMBL9020199 0.84 HPRT1 (0.41) HPRT1

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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