SCHEMBL9645091

SCHEMBL9645091

CCc1cn([C@H]2C[C@H](OC(C)=O)[C@@H](CCC(=O)Cc3ccccc3C)O2)c(=O)[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.50

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
SCHEMBL9645099 1.00 RNASE1 (0.50) RNASE1
SCHEMBL9644301 0.92 RNASE1 (0.49) RNASE1
SCHEMBL9644294 0.92 RNASE1 (0.49) RNASE1
SCHEMBL9644238 0.91 RNASE1 (0.46) RNASE1
SCHEMBL9644247 0.91 RNASE1 (0.46) RNASE1
SCHEMBL9644272 0.90 RNASE1 (0.49) RNASE1
SCHEMBL9644982 0.90 RNASE1 (0.49) RNASE1
SCHEMBL9645455 0.87 TK2 (0.53)
SCHEMBL9645468 0.87 TK2 (0.53)
SCHEMBL9644288 0.87 RNASE1 (0.44) RNASE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255894-B1 PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM F. HOFFMANN-LA ROCHE AG (CH) 1992-10-07 EP claimed
EP-0255894-B1 PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM F. HOFFMANN-LA ROCHE AG (CH) 1992-10-07 EP disclosed
US-4882316-A CONTROL AND PREVENTION OF VIRAL INFECTIONS HOFFMANN-LA ROCHE INC. (US) 1989-11-21 US disclosed
EP-0255894-A2 Pyrimidine derivatives, their preparation and medicaments containing them F. HOFFMANN-LA ROCHE AG (CH) 1988-02-17 EP disclosed