SCHEMBL4652976

SCHEMBL4652976

COc1cccc2c1N(C(=O)c1nc3c(s1)C(=O)C=C(NCCN(C)C)C3=O)CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.46
CDC25B P30305 2/20 0.46
CDC25C P30307 2/20 0.46
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
TRPC6 Q9Y210 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
RAD52 P43351 1/20 0.33
UBE2N P61088 1/20 0.33
SPIN4 Q56A73 1/20 0.32
SPIN3 Q5JUX0 1/20 0.32
SPIN2B Q9BPZ2 1/20 0.32
SPIN1 Q9Y657 1/20 0.32
EIF4E P06730 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL3819633 0.90 CDC25A (0.44) CDC25ACDC25BCDC25CMEN1KMT2A
SCHEMBL3546262 0.84 CDC25A (0.46) CDC25ACDC25BCDC25CMEN1KMT2A
SCHEMBL2399469 0.78 HSD17B10 (0.43) CDC25ACDC25BCDC25CMEN1KMT2A
SCHEMBL3548778 0.77 CDC25A (0.60) CDC25ACDC25BCDC25CMEN1KMT2A
SCHEMBL3553179 0.75 CDC25A (0.51) CDC25ACDC25BCDC25CMEN1KMT2A
SCHEMBL2404462 0.75 CDC25A (0.45) CDC25ACDC25BCDC25CMEN1KMT2A
SCHEMBL5311993 0.74 CDC25A (0.61) CDC25ACDC25BCDC25CMEN1KMT2A
SCHEMBL3549004 0.73 CDC25A (0.57) CDC25ACDC25BCDC25CMEN1KMT2A
SCHEMBL3543263 0.72 CDC25A (0.52) CDC25ACDC25BCDC25CKMT2AMALT1
SCHEMBL3556819 0.72 CDC25A (0.51) CDC25ACDC25BCDC25CKMT2AALDH1A1

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-1814879-B1 DERIVATIVES OF 4,7-DIOXOBENZOTHIAZOLE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND THERAPEUTIC USES OF SAME SOD CONSEILS RECH APPLIC (FR) 2008-09-24 EP claimed