SCHEMBL4031745

SCHEMBL4031745

Cn1cc(C(=S)Nc2cc(Cl)ccc2-c2ccccc2)c(C(F)(F)C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 4/20 0.39
IDH2 P48735 4/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
FABP5 Q01469 1/20 0.38
GRIK1 P39086 3/20 0.37
SERPINE1 P05121 2/20 0.34
ACLY P53396 1/20 0.34
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL4026747 0.80 FABP4 (0.41) FABP4IDH2IRAK4FABP5GRIK1
SCHEMBL4033425 0.69 TDP1 (0.42) HPGDHTTL3MBTL1ALDH1A1NPSR1
SCHEMBL4030948 0.69 CHRM3 (0.40) GAAL3MBTL1KDM4EALDH1A1NPSR1
SCHEMBL4028060 0.68 TDP1 (0.39) HPGDL3MBTL1KDM4EALDH1A1NPSR1
SCHEMBL11160989 0.68 FABP4 (0.52) FABP4IDH2IRAK4FABP5SERPINE1
SCHEMBL5213164 0.66 KDM4E (0.59) FABP4IDH2IRAK4FABP5GRIK1
SCHEMBL4029697 0.65 CHRM3 (0.43) L3MBTL1ALDH1A1NPSR1
SCHEMBL5099112 0.65 FABP4 (0.62) FABP4IDH2IRAK4FABP5GRIK1
SCHEMBL5735479 0.65 ALDH1A1 (0.51) IRAK4S1PR1S1PR3HTTL3MBTL1
SCHEMBL4031020 0.63 TAS2R14 (0.36) FABP4

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-1252140-B1 PYRROLECARBOXAMIDES AND PYRROLETHIOAMIDES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-05-13 EP claimed