SCHEMBL18966950

SCHEMBL18966950

O=C1CCC(CCO)c2cc(Br)cnc2N1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 10/20 0.37
DDB1 Q16531 4/20 0.37
SMYD3 Q9H7B4 2/20 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
SCHEMBL13320617 0.81 CRBN (0.40) CRBNDDB1SMYD3
SCHEMBL2845902 0.81 CRBN (0.40) CRBNDDB1SMYD3
SCHEMBL19143188 0.81 CRBN (0.40) CRBNDDB1SMYD3
SCHEMBL19143405 0.79 CRBN (0.41) CRBNDDB1SMYD3
SCHEMBL725492 0.67 CRBN (0.51) CRBN
SCHEMBL29799872 0.67 CRBN (0.51) CRBN
Bromide SCHEMBL4113407 0.66 CRBN (0.50) CRBN
SCHEMBL1092914 0.65 CRBN (0.43) CRBNDDB1
SCHEMBL23101608 0.64 TP53 (0.38)
SCHEMBL29381060 0.64 TP53 (0.38)

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-2054422-B1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS DEBIOPHARM INT SA (CH) 2017-06-14 EP disclosed