SCHEMBL433087

SCHEMBL433087

Fc1ccc[c]c1-c1ccc(Cl)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.37
HSD11B1 P28845 2/20 0.35
KMO O15229 2/20 0.35
GRM2 Q14416 6/20 0.35
S100A4 P26447 2/20 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
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 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
SCHEMBL436977 0.88 HSD11B1 (0.43) EGLN2HSD11B1
SCHEMBL432655 0.88 EGLN2 (0.36) EGLN2HSD11B1KMOGRM2S100A4
SCHEMBL17514962 0.82 HSD11B1 (0.48) EGLN2HSD11B1KMOGRM2PDK2
SCHEMBL17514861 0.82 KMO (0.35) EGLN2HSD11B1KMOGRM2S100A4
SCHEMBL436100 0.81 NFE2L2 (0.36) KMOGPR3
SCHEMBL433432 0.79 GRM2 (0.38) EGLN2HSD11B1KMOGRM2S100A4
SCHEMBL434747 0.79 GRM2 (0.38) EGLN2HSD11B1KMOGRM2S100A4
SCHEMBL17514767 0.77 HSD11B1 (0.39) HSD11B1GRM2
SCHEMBL17514989 0.77 KMO (0.34) EGLN2HSD11B1KMOGRM2S100A4
SCHEMBL434023 0.77 NOTUM (0.35)

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-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed