SCHEMBL432908

SCHEMBL432908

Fc1ccccc1-c1c(Cl)[c]ccc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.34
PTPRC P08575 1/20 0.33
PTPN1 P18031 1/20 0.33
NOTUM Q6P988 2/20 0.32
PDK2 Q15119 1/20 0.32
APEX1 P27695 2/20 0.31
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAPT P10636 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
IDO1 P14902 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMARCA2 P51531 1/20 0.30
SMARCA4 P51532 1/20 0.30
PBRM1 Q86U86 1/20 0.30
HSD11B1 P28845 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL14975620 0.87 PTPRC (0.36) PTGS1PTPRCPTPN1NOTUMPDK2
SCHEMBL435178 0.80 NOTUM (0.33) PTPRCPTPN1NOTUMPDK2ALDH1A1
SCHEMBL5182645 0.78 CYP1A2 (0.38) ALDH1A1L3MBTL1MAPTNPC1CASP3
SCHEMBL432660 0.78 ALDH1A1 (0.34) ALDH1A1CA1CA2IDO1KDM4E
SCHEMBL433543 0.78 PTGS2 (0.36) PDK2KDM4EHSD11B1NPC1RAB9A
SCHEMBL2511114 0.78 APEX1 (0.39) PTGS1PTPRCPTPN1APEX1L3MBTL1
SCHEMBL10743684 0.77 PTPRC (0.33) PTPRCPTPN1NOTUMPDK2APEX1
SCHEMBL432734 0.76 PTPRC (0.35) PTPRCPTPN1NOTUMAPEX1ALDH1A1
SCHEMBL434140 0.76 CYP1A2 (0.34) PTGS1NOTUMPDK2ALDH1A1IDO1
SCHEMBL2053601 0.74 CA1 (0.35) PDK2L3MBTL1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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