SCHEMBL4795202

SCHEMBL4795202

C[N+]1=CC(C)(C)N(c2nc(-c3ccc(C#N)cc3)cs2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.54
GAA P10253 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
RECQL P46063 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SIRT5 Q9NXA8 2/20 0.45
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
CDC25C P30307 1/20 0.40
MAOA P21397 6/20 0.40
MAOB P27338 6/20 0.40
KDM4E B2RXH2 3/20 0.40
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
LCK P06239 1/20 0.39

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
SCHEMBL4086306 0.82 AR (0.55) ARGAAKMT2AMEN1MAPT
SCHEMBL4078988 0.78 GAA (0.55) ARGAAKMT2AMEN1MAPT
SCHEMBL4076521 0.78 KMT2A (0.57) ARGAAKMT2AMEN1MAPT
SCHEMBL3530239 0.77 KMT2A (0.56) ARGAAKMT2AMEN1MAPT
SCHEMBL4081973 0.76 AR (0.51) ARGAAKMT2AMEN1MAPT
SCHEMBL3161083 0.73 GAA (0.49) ARGAAKMT2AMEN1MAPT
SCHEMBL4084526 0.73 AR (0.53) ARGAAKMT2AMEN1MAPT
SCHEMBL3526486 0.73 GAA (0.49) ARGAAKMT2AMEN1MAPT
SCHEMBL3170904 0.73 KMT2A (0.52) ARGAAKMT2AMEN1MAPT
SCHEMBL4078584 0.71 AR (0.51) ARGAAKMT2AMEN1MAPT

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-2008021309-A1 IMIDAZOLIDIN-2-ONE DERIVATIVES USEFUL AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed