SCHEMBL14793573

SCHEMBL14793573

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

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPYD Q12882 5/20 0.66
▸ MAPT P10636 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ ATAD2 Q6PL18 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ THPO P40225 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HBB P68871 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL15798473 0.91 DPYD (0.62) DPYDMAPTALDH1A1LMNAGAA
SCHEMBL65892 0.91 DPYD (0.62) DPYDMAPTALDH1A1LMNAGAA
SCHEMBL190003 0.91 DPYD (0.62) DPYDMAPTALDH1A1LMNAGAA
SCHEMBL289873 0.81 DPYD (1.00) DPYDMAPTALDH1A1LMNAGAA
SCHEMBL7884 0.81 — —
SCHEMBL6512588 0.76 DPYD (0.59) DPYDMAPTALDH1A1LMNAGAA
SCHEMBL933037 0.76 DPYD (0.59) DPYDMAPTALDH1A1LMNAGAA
5-Bromouracil SCHEMBL8224638 0.74 DPYD (0.76) DPYDMAPTALDH1A1LMNAGAA
SCHEMBL5559312 0.74 ATAD2 (0.53) DPYDMAPTALDH1A1LMNAGAA
SCHEMBL5559308 0.74 ATAD2 (0.53) DPYDMAPTALDH1A1LMNAGAA

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
US-8404830-B2 Method for generating aptamers with improved off-rates SOMALOGIC, INC. (US) 2013-03-26 — — US disclosed
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