SCHEMBL5801644

SCHEMBL5801644

O=c1[nH]cc(-c2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
DPYD Q12882 5/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 3/20 0.56
GAA P10253 2/20 0.56
ATAD2 Q6PL18 1/20 0.56
CYP19A1 P11511 1/20 0.56
TSHR P16473 1/20 0.56
THPO P40225 1/20 0.56
MTOR P42345 1/20 0.56
HTT P42858 1/20 0.56
HBB P68871 1/20 0.56
PMP22 Q01453 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDM4C Q9H3R0 1/20 0.43

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
SCHEMBL3557794 0.79 ALDH1A1 (0.59) ALDH1A1DPYDLMNAMAPTGAA
SCHEMBL3485414 0.79 ALDH1A1 (1.00) ALDH1A1DPYDLMNAMAPTGAA
SCHEMBL30753833 0.77 DPYD (0.59) ALDH1A1DPYDLMNAGAA
SCHEMBL16653102 0.76 ALDH1A1 (0.67) ALDH1A1DPYDLMNAMAPTGAA
SCHEMBL16652924 0.76 ALDH1A1 (0.67) ALDH1A1DPYDLMNAMAPTGAA
SCHEMBL29809206 0.76 ALDH1A1 (0.67) ALDH1A1DPYDLMNAMAPTGAA
SCHEMBL4628047 0.76 ALDH1A1 (0.56) ALDH1A1DPYDLMNAMAPTGAA
SCHEMBL2745356 0.75 ATAD2 (0.44) ALDH1A1DPYDLMNAMAPTGAA
SCHEMBL2745399 0.75 ATAD2 (0.44) ALDH1A1DPYDLMNAMAPTGAA
SCHEMBL16652648 0.75 ALDH1A1 (0.54) ALDH1A1LMNAMAPTTHPOMTOR

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
WO-2006070292-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (US) 2006-07-06 WO disclosed