SCHEMBL9020311

SCHEMBL9020311

CC(=O)O[C@@H]1[C@H](CO)C[C@@]1(C)N1CNc2c1nc(N)[nH]c2=O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 9/20 0.38
▸ NOS1 P29475 1/20 0.31
▸ PNP P00491 2/20 0.31
▸ TLR7 Q9NYK1 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL9020314 0.74 ADORA3 (0.44) HPRT1PNPALDH1A1
SCHEMBL9020524 0.69 HPRT1 (0.38) HPRT1NOS1PNPALDH1A1
SCHEMBL9470564 0.67 HPRT1 (0.44) HPRT1NOS1
SCHEMBL9369454 0.66 HPRT1 (0.54) HPRT1NOS1PNPALDH1A1
SCHEMBL7515747 0.66 HPRT1 (0.54) HPRT1NOS1PNP
SCHEMBL9706279 0.66 HPRT1 (0.41) HPRT1NOS1TLR7ALDH1A1
SCHEMBL9364811 0.65 HPRT1 (0.53) HPRT1NOS1PNP
SCHEMBL9309013 0.65 HPRT1 (0.42) HPRT1NOS1PNPTLR7
SCHEMBL598708 0.65 HPRT1 (0.42) HPRT1NOS1PNPTLR7
SCHEMBL9615455 0.65 HPRT1 (0.42) HPRT1NOS1PNPTLR7

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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