SCHEMBL9644293

SCHEMBL9644293

CCc1cn([C@@H]2CC(OC(C)=O)[C@H](CCC(=O)Cc3c(Cl)cccc3Cl)O2)c(=O)[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.44
TK2 O00142 1/20 0.41
TK1 P04183 1/20 0.41

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
SCHEMBL9644288 1.00 RNASE1 (0.44) RNASE1TK2TK1
SCHEMBL9644238 0.93 RNASE1 (0.46) RNASE1
SCHEMBL9644247 0.93 RNASE1 (0.46) RNASE1
SCHEMBL9644294 0.91 RNASE1 (0.49) RNASE1TK2TK1
SCHEMBL9644301 0.91 RNASE1 (0.49) RNASE1TK2TK1
SCHEMBL9644982 0.88 RNASE1 (0.49) RNASE1
SCHEMBL9644272 0.88 RNASE1 (0.49) RNASE1
SCHEMBL9644348 0.87 TK2 (0.53) TK2TK1
SCHEMBL9644358 0.87 TK2 (0.53) TK2TK1
SCHEMBL9645091 0.87 RNASE1 (0.50) 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 2 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
US-4882316-A CONTROL AND PREVENTION OF VIRAL INFECTIONS HOFFMANN-LA ROCHE INC. (US) 1989-11-21 US disclosed