SCHEMBL8607884

SCHEMBL8607884

CCCCCC1C(=O)N(Br)C(CCCCC)N1Br

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 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
SCHEMBL11861217 0.71 CYP1A2 (0.34) CYP1A2
SCHEMBL11856531 0.71 CYP1A2 (0.34) CYP1A2
SCHEMBL7887401 0.69 PTGS1 (0.42) CYP1A2
SCHEMBL11864710 0.68 ALDH1A1 (0.37) CYP1A2
SCHEMBL2284084 0.68 CYP1A2 (0.31) CYP1A2
SCHEMBL8029692 0.67 MMP1 (0.38)
SCHEMBL818514 0.63
SCHEMBL1618605 0.63 CYP1A2 (0.36) CYP1A2
SCHEMBL1617916 0.62 CYP1A2 (0.39) CYP1A2
SCHEMBL1617963 0.62 CYP1A2 (0.39) CYP1A2

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-0513239-B1 N,N'-DIHALOIMIDAZOLIDIN-4-ONES UNIV AUBURN (US) 1998-04-08 EP claimed