SCHEMBL3352304

SCHEMBL3352304

Clc1[c]nc2c(c1)NCCS2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4775805 0.73
SCHEMBL910503 0.72 MEN1 (0.33) MEN1ALDH1A1GAAKMT2A
SCHEMBL2125246 0.70 MEN1 (0.34) MEN1ALDH1A1GAAKMT2A
SCHEMBL3346304 0.68 MEN1 (0.43) MEN1ALDH1A1GAAKMT2A
SCHEMBL4438575 0.65 MEN1 (0.30) MEN1ALDH1A1GAAKMT2A
SCHEMBL13089143 0.63 ALDH1A1 (0.34) MEN1ALDH1A1GAAKMT2A
SCHEMBL910195 0.61 MEN1 (0.35) MEN1ALDH1A1GAAKMT2A
SCHEMBL30480839 0.61 MEN1 (0.43) MEN1ALDH1A1GAAKMT2A
SCHEMBL5253609 0.60 MEN1 (0.32) MEN1ALDH1A1GAAKMT2A
SCHEMBL5253945 0.60 MEN1 (0.32) MEN1ALDH1A1GAAKMT2A

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-2010046388-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUINOLIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed