SCHEMBL1868968

SCHEMBL1868968

Nc1c(Br)cc(Br)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CA3 P07451 1/20 0.33
HTR6 P50406 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL29759333 0.83 ALDH1A1 (0.42) GAAMAPTCA1CA2CA9
SCHEMBL4663299 0.83 ALDH1A1 (0.42) GAAMAPTCA1CA2CA9
SCHEMBL4596400 0.81 TDP1 (0.34) GAAMEN1HTTKMT2AHTR6
SCHEMBL25292365 0.81 GAA (0.40) GAAMAPTCA1CA2CA9
SCHEMBL31206751 0.77 CYP3A4 (0.37) GAAMAPTMEN1HTTKMT2A
SCHEMBL25402470 0.77 KHK (0.36) CA1CA2CA9MEN1HTT
SCHEMBL3208148 0.77 CYP3A4 (0.37) GAAMAPTMEN1HTTKMT2A
SCHEMBL25402756 0.73 MAPT (0.46) GAAMAPT
SCHEMBL1866489 0.73 NT5E (0.41) GAAMAPTCA1CA2CA9
SCHEMBL25404179 0.73

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-2011057148-A1 COMPOUNDS AND COMPOSITIONS AS TLR-7 ACTIVITY MODULATORS IRM LLC (BM) 2011-05-12 WO disclosed