SCHEMBL7248456

SCHEMBL7248456

COCCN(C(N)=O)c1ccc(NC2=C(N3CCCC3)C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 1/20 0.59
▸ CDC25B P30305 1/20 0.59
▸ APAF1 O14727 11/20 0.54
▸ NPC1 O15118 4/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ MAPT P10636 11/20 0.53
▸ ALDH1A1 P00352 8/20 0.53
▸ SMN1; SMN2 Q16637 6/20 0.53
▸ POLB P06746 6/20 0.53
▸ HTT P42858 4/20 0.53
▸ LMNA P02545 3/20 0.53
▸ MITF O75030 2/20 0.53
▸ KLF5 Q13887 1/20 0.53
▸ MAPK1 P28482 3/20 0.48
▸ PTBP1 P26599 1/20 0.48
▸ L3MBTL1 Q9Y468 6/20 0.47
▸ GAA P10253 5/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL7256263 0.81 APAF1 (0.63) CDC25ACDC25BAPAF1NPC1RAB9A
SCHEMBL7253110 0.81 APAF1 (0.62) CDC25ACDC25BAPAF1NPC1RAB9A
SCHEMBL7240512 0.79 MAPT (0.65) CDC25ACDC25BAPAF1NPC1RAB9A
SCHEMBL7247286 0.77 CDC25A (0.62) CDC25ACDC25BAPAF1NPC1RAB9A
SCHEMBL7245820 0.77 APAF1 (0.62) CDC25ACDC25BAPAF1NPC1RAB9A
SCHEMBL7246266 0.76 CDC25A (0.73) CDC25ACDC25BAPAF1NPC1RAB9A
SCHEMBL12333609 0.76 CDC25A (0.98) CDC25ACDC25BAPAF1NPC1RAB9A
SCHEMBL7241156 0.76 APAF1 (0.61) CDC25ACDC25BAPAF1NPC1RAB9A
SCHEMBL7240441 0.76 MAPT (0.69) CDC25ACDC25BAPAF1NPC1RAB9A
SCHEMBL7243360 0.74 APAF1 (0.72) CDC25ACDC25BAPAF1NPC1RAB9A

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-6630589-B1 Screening assays for compounds that are potentially useful for treating or preventing a proliferative disease. The assays are based on contacting a candidate compound with a cell containing a nucleic acid including a HER2 regulatory element MESSAGE PHARMACEUTICALS 2003-10-07 — — US disclosed
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