SCHEMBL6556241

SCHEMBL6556241

O=c1[nH]cc(CBr)c(=O)[nH]1.O=c1[nH]cc(CI)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DPYD Q12882 1/20 0.44
▸ GAA P10253 1/20 0.39
▸ ATAD2 Q6PL18 1/20 0.39

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
SCHEMBL5798297 0.90 DPYD (0.46) DPYDGAAATAD2
SCHEMBL6555485 0.90 DPYD (0.52) DPYDGAAATAD2
SCHEMBL5800398 0.73 — —
SCHEMBL161148 0.71 ATAD2 (0.54) DPYDGAAATAD2
SCHEMBL2037916 0.70 DPYD (0.46) DPYDGAAATAD2
SCHEMBL2584919 0.70 LMNA (0.52) DPYDGAAATAD2
SCHEMBL4625879 0.70 ALDH1A1 (0.52) DPYDGAAATAD2
SCHEMBL31236144 0.68 DPYD (0.45) DPYDGAAATAD2
SCHEMBL4346481 0.68 DPYD (0.45) DPYDGAAATAD2
Hydrochloric Acid SCHEMBL22659843 0.68 DPYD (0.45) DPYDGAAATAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0898575-B1 A COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES KOESTER HUBERT DR (US) 2004-12-29 — — EP claimed
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