SCHEMBL534721

SCHEMBL534721

COC(=O)C(Oc1ccc2ncc(Br)cc2c1)SC.Oc1ccc2ncc(Br)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
F2 P00734 1/20 0.39
GLA P06280 1/20 0.39
MALT1 Q9UDY8 1/20 0.35
PDE10A Q9Y233 4/20 0.34
ALPL P05186 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 2/20 0.33
HPGDS O60760 2/20 0.33
HTT P42858 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
KDM4C Q9H3R0 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
SCHEMBL534434 0.94 ALDH1A1 (0.43) HPGDALDH1A1F2GLAMALT1
SCHEMBL534741 0.84 ALDH1A1 (0.43) HPGDALDH1A1F2GLAMALT1
SCHEMBL14773121 0.83 ALDH1A1 (0.54) HPGDALDH1A1F2GLAALPL
SCHEMBL14769656 0.82 ALDH1A1 (0.44) HPGDALDH1A1F2GLAPDE10A
SCHEMBL12817605 0.80 ALDH1A1 (0.41) HPGDALDH1A1F2GLAPDE10A
SCHEMBL633389 0.79 HPGDS (0.38) HPGDALDH1A1F2GLAMALT1
SCHEMBL3613111 0.79 ALDH1A1 (0.46) HPGDALDH1A1F2GLAMALT1
SCHEMBL3616021 0.78 ALDH1A1 (0.45) HPGDALDH1A1F2GLAMALT1
SCHEMBL12181901 0.78 ALDH1A1 (0.41) HPGDALDH1A1F2GLAMEN1
SCHEMBL12818530 0.78 MET (0.41) HPGDALDH1A1F2GLAPDE10A

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-2185518-B1 Aryloxyacetamide derivatives and their use as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2012-02-08 EP disclosed