SCHEMBL31236144

SCHEMBL31236144

O=c1[nH]cc(CN=NCc2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPYD Q12882 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ ATAD2 Q6PL18 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP19A1 P11511 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ THPO P40225 1/20 0.45
▸ MTOR P42345 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ HBB P68871 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL5800398 0.79 — —
SCHEMBL30850435 0.79 DPYD (0.38) DPYDGAAATAD2
SCHEMBL161148 0.77 ATAD2 (0.54) DPYDGAAATAD2ALDH1A1LMNA
SCHEMBL2584919 0.76 LMNA (0.52) DPYDGAAATAD2ALDH1A1LMNA
SCHEMBL2037916 0.76 DPYD (0.46) DPYDGAAATAD2ALDH1A1LMNA
SCHEMBL6555485 0.76 DPYD (0.52) DPYDGAAATAD2ALDH1A1LMNA
SCHEMBL5798297 0.76 DPYD (0.46) DPYDGAAATAD2ALDH1A1LMNA
SCHEMBL4625879 0.76 ALDH1A1 (0.52) DPYDGAAATAD2ALDH1A1LMNA
SCHEMBL4346481 0.74 DPYD (0.45) DPYDGAAATAD2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL22659843 0.74 DPYD (0.45) DPYDGAAATAD2ALDH1A1LMNA

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-20240309370-A1 METABOLIC DISORDER-ASSOCIATED TARGET GENE IRNA COMPOSITIONS AND METHODS OF USE THEREOF BANK OF AMERICA, N.A. 2024-09-19 — — US disclosed
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