SCHEMBL5821030

SCHEMBL5821030

CNC(=N)c1c(NC)n(-c2ccc(S(=O)(=O)NN)cc2)c(-c2ccncc2)nc1=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL5817785 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5820890 0.81 ALDH1A1 (0.41) GAAALDH1A1
SCHEMBL5823284 0.80 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5815528 0.77 GAA (0.38) GAAKMT2A
SCHEMBL5821021 0.73 MAT2A (0.33) ALDH1A1KMT2A
SCHEMBL5820968 0.72 CA2 (0.38) GAAKMT2A
SCHEMBL5821054 0.71 G6PD (0.52) ALDH1A1KMT2A
SCHEMBL5816275 0.71 MAPT (0.44) GAAKMT2A
SCHEMBL5815685 0.70 AOC3 (0.41) GAAALDH1A1KMT2A
SCHEMBL5821417 0.70 ALDH1A1 (0.36) ALDH1A1KMT2A

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-2006129181-A2 PREPARATION OF 4-PYRIMIDONE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2006-12-07 WO disclosed