SCHEMBL8779231

SCHEMBL8779231

CCC(CC)COc1ccnc(OC(=O)NC(=O)[C@H](C)N)c1O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.33
PRMT6 Q96LA8 2/20 0.33
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
GAA P10253 1/20 0.30
CYP3A4 P08684 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
LNPEP Q9UIQ6 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
SCHEMBL8779210 0.91 CIT (0.30) NFKB1NFKB2RELA
SCHEMBL8779292 0.90 CARM1 (0.35) CARM1PRMT6CYP3A4AAK1
SCHEMBL8779387 0.89 AAK1 (0.38) CYP3A4AAK1
SCHEMBL8779176 0.89 HPGD (0.38) CARM1PRMT6GAAAAK1
SCHEMBL8779212 0.89 HPGD (0.38) CARM1PRMT6GAAAAK1
SCHEMBL8779325 0.86 IKBKB (0.37) CARM1PRMT6GAA
SCHEMBL8779136 0.86 IKBKB (0.37) CARM1PRMT6GAA
SCHEMBL8779135 0.85 XIAP (0.40) CARM1PRMT6NFKB1NFKB2RELA
SCHEMBL8779284 0.85 NFKB1 (0.32) CARM1NFKB1NFKB2RELA
SCHEMBL8779157 0.85 XIAP (0.40) CARM1PRMT6NFKB1NFKB2RELA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661269-B1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AG (DE) 1997-03-26 EP disclosed
EP-0661269-A1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed