SCHEMBL434747

SCHEMBL434747

Fc1cc(Cl)ccc1-c1ccc[c]c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.38
HSD11B1 P28845 2/20 0.38
EGLN2 Q96KS0 1/20 0.37
S100A4 P26447 2/20 0.35
KMO O15229 2/20 0.35
GPR3 P46089 1/20 0.34
EIF4E P06730 1/20 0.34
PDK2 Q15119 1/20 0.33
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
FASN P49327 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 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
SCHEMBL433432 0.86 GRM2 (0.38) GRM2HSD11B1EGLN2S100A4KMO
SCHEMBL432712 0.86 MAPK14 (0.35) GRM2HSD11B1GPR3EIF4EPTGS2
SCHEMBL15637652 0.81 GPR3 (0.32) GPR3
SCHEMBL432622 0.81 AHR (0.42) HSD11B1S100A4GPR3
SCHEMBL432734 0.81 PTPRC (0.35) HSD11B1EIF4EGABRPGABRDGABRA1
SCHEMBL17514487 0.79 HSD11B1 (0.36) GRM2HSD11B1EGLN2S100A4KMO
SCHEMBL433087 0.79 EGLN2 (0.37) GRM2HSD11B1EGLN2S100A4KMO
SCHEMBL17514578 0.79 KMO (0.40) GRM2HSD11B1EGLN2S100A4KMO
SCHEMBL2052438 0.79 PTPN1 (0.38) HSD11B1GPR3EIF4EPDK2
SCHEMBL13729167 0.78 HSD11B1 (0.39) HSD11B1S100A4PDK2SCN5ASCN9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016026830-A1 NOVEL FUNGICIDAL PYRAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-02-25 WO disclosed
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed