SCHEMBL7260730

SCHEMBL7260730

CCc1c(C(=O)c2cc(C)cc(C)c2)n(COCC=C(C)C)c(=O)[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL7254926 0.88 MEN1 (0.36) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL7031964 0.87 KMT2A (0.39) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL7254987 0.86 ALDH1A1 (0.37) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL7758274 0.85 TPH1 (0.37) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL7255132 0.84 MEN1 (0.36) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL7259855 0.82 MEN1 (0.36) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL7254871 0.81 ALDH1A1 (0.32) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL8073601 0.81 ALDH1A1 (0.51) MEN1KMT2ATDP1ALDH1A1
SCHEMBL6087754 0.81 KMT2A (0.39) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL12752168 0.80 KMT2A (0.40) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1

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-2003057677-A1 ANTI-RETROVIRAL 5,6-DISUBSTITUTED ACYCLOPYRIMIDINE NUCLEOSIDE DERIVATIVES SYDDANSK UNIVERSITET (DK) 2003-07-17 WO disclosed