SCHEMBL534720

SCHEMBL534720

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
F2 P00734 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
MALT1 Q9UDY8 1/20 0.35
ALPL P05186 4/20 0.33
HPGDS O60760 1/20 0.33
PDE10A Q9Y233 4/20 0.32
ABL1 P00519 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
CYP26A1 O43174 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
FTO Q9C0B1 1/20 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
SCHEMBL534433 0.94 ALDH1A1 (0.43) ALDH1A1F2GLAHPGDMALT1
SCHEMBL3667800 0.77 KMT2A (0.42) ALDH1A1F2GLAHPGDPDE10A
SCHEMBL1929011 0.74 CNR2 (0.33) ALDH1A1
SCHEMBL3227640 0.74 MALT1 (0.41) HPGDMALT1ALPLPDGFRBPDGFRA
SCHEMBL3217590 0.74 PDGFRB (0.35) ALDH1A1MALT1ALPLHPGDSPDGFRB
SCHEMBL534721 0.74 HPGD (0.39) ALDH1A1F2GLAHPGDMALT1
SCHEMBL1927850 0.74 HPGDS (0.38) ALDH1A1F2GLAHPGDMALT1
SCHEMBL534471 0.74 DYRK1A (0.46) ALDH1A1HPGDPDE10APDGFRBPDGFRA
SCHEMBL3611213 0.70 ALDH1A1 (0.47) ALDH1A1F2GLAHPGDPDE10A
SCHEMBL621672 0.70 PDGFRB (0.58) ALDH1A1F2GLAHPGDHPGDS

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