SCHEMBL1243654

SCHEMBL1243654

Cc1nc(C)c(CCN(C(=O)O)C(C)(C)C)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.41
APEX1 P27695 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
CYP1A2 P05177 1/20 0.30
HRH2 P25021 1/20 0.30
HRH1 P35367 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
PPARG P37231 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
SCHEMBL3873879 0.69 GAA (0.68) GAAALDH1A1TP53THRB
SCHEMBL4573845 0.68 ALDH1A1 (0.48) GAAALDH1A1TP53THRBSLC6A3
SCHEMBL18256087 0.68 ALDH1A1 (0.43) GAAALDH1A1TP53THRBSLC6A3
SCHEMBL873381 0.68 PTGDR2 (0.53) GAAALDH1A1MEN1KMT2ASLC6A3
SCHEMBL11985510 0.67 GAA (0.40) GAAALDH1A1APEX1TP53THRB
SCHEMBL263398 0.67 ALDH1A1 (0.45) GAAALDH1A1TP53THRBSLC6A3
SCHEMBL10284723 0.65 ALDH1A1 (0.41) GAAALDH1A1TP53THRBSLC6A3
SCHEMBL7910237 0.65 ALDH1A1 (0.41) GAAALDH1A1TP53THRBSLC6A3
SCHEMBL5653393 0.65 SMN1; SMN2 (0.43) ALDH1A1THRBMEN1HTTKMT2A
SCHEMBL1267025 0.65 ALDH1A1 (0.45) GAAALDH1A1TP53THRBHTT

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
US-7888289-B2 2,6-Difluoro-N-[2-(2-methyl-4-thiazolyl)ethyl]benzamide; applying an effective and nonphytotoxic amount of the fungicide composition to the plant seeds,leaves and/or fruits of the plants or to the soil; crops; Alternaria BAYER CROPSCIENCE AG (DE) 2011-02-15 US disclosed