SCHEMBL8779284

SCHEMBL8779284

CCC(CC)COc1ccnc(OC(=O)NC(=O)CN)c1O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
CARM1 Q86X55 1/20 0.31

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
SCHEMBL8779122 0.88 MAPT (0.33) CARM1
SCHEMBL8779326 0.87 SMN1; SMN2 (0.39) CARM1
SCHEMBL8779231 0.85 CARM1 (0.33) NFKB1NFKB2RELACARM1
SCHEMBL8779273 0.85 IKBKB (0.38) CARM1
SCHEMBL8779138 0.84 SMN1; SMN2 (0.39) NFKB1NFKB2RELA
SCHEMBL8779210 0.84 CIT (0.30) NFKB1NFKB2RELA
SCHEMBL8779241 0.83 LMNA (0.40) NFKB1NFKB2RELA
SCHEMBL8779283 0.82 ALDH1A1 (0.35)
SCHEMBL8779387 0.82 AAK1 (0.38)
SCHEMBL8779253 0.82 HTT (0.39)

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