SCHEMBL289873

SCHEMBL289873

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DPYD Q12882 5/20 1.00
▸ MAPT P10636 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ GAA P10253 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ ATAD2 Q6PL18 1/20 0.52
▸ CYP19A1 P11511 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ THPO P40225 1/20 0.52
▸ MTOR P42345 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ HBB P68871 1/20 0.52
▸ PMP22 Q01453 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ PKM P14618 1/20 0.41
▸ KDM4C Q9H3R0 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
SCHEMBL7884 1.00 — —
5-Bromouracil SCHEMBL8224638 0.87 DPYD (0.76) DPYDMAPTALDH1A1GAALMNA
SCHEMBL7250168 0.87 DPYD (0.76) DPYDMAPTALDH1A1GAALMNA
SCHEMBL14793573 0.81 DPYD (0.66) DPYDMAPTALDH1A1GAALMNA
Hypoxanthine SCHEMBL22323646 0.80 DPYD (0.63) DPYDMAPTALDH1A1GAALMNA
SCHEMBL5801644 0.72 ALDH1A1 (0.64) DPYDMAPTALDH1A1GAALMNA
SCHEMBL6573722 0.70 — —
SCHEMBL7177835 0.69 DPYD (0.52) DPYDMAPTALDH1A1GAALMNA
SCHEMBL6555485 0.69 DPYD (0.52) DPYDMAPTALDH1A1GAALMNA
Thymine SCHEMBL15323914 0.68 ATAD2 (1.00) DPYDMAPTALDH1A1GAALMNA

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-2428201-A1 Oral administration of nucleoside monophosphates Merck Serono S.A. (CH) 2012-03-14 — — EP disclosed
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