SCHEMBL28295766

SCHEMBL28295766

Cc1cc(-c2c(F)cccc2F)ccc1-c1ccnnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 5/20 0.42
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
LRRK2 Q5S007 3/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
MAPK14 Q16539 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
HDAC4 P56524 1/20 0.36
KAT6A Q92794 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
SLC2A1 P11166 1/20 0.35
PDE3B Q13370 2/20 0.35

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
SCHEMBL28224493 0.88 GABRA1 (0.40) WNT3AALOX5APFEN1HCRTR1HCRTR2
SCHEMBL28185372 0.79 ORAI1 (0.38) WNT3AHCRTR1HCRTR2CSNK1DCSNK1E
SCHEMBL28098586 0.77 CSNK1D (0.36) HCRTR1HCRTR2CSNK1DCSNK1EMAPK14
SCHEMBL28284386 0.76 MAP4K1 (0.38) HCRTR1HCRTR2GABRA1GABRG2GABRB3
SCHEMBL28296425 0.76 HCRTR1 (0.38) ALOX5APFEN1HCRTR1HCRTR2CSNK1D
SCHEMBL17432889 0.74 WNT3A (0.39) WNT3AHCRTR1HCRTR2HDAC4KAT6A
SCHEMBL17666285 0.74 WNT3A (0.46) WNT3A
SCHEMBL16982970 0.71 NOTUM (0.46) WNT3AABL1
SCHEMBL20403686 0.71 STING1 (0.42) WNT3AHCRTR1HCRTR2
SCHEMBL5318296 0.70 TRPA1 (0.41) WNT3AMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109715622-A Triazole derivatives and their use as fungicides 拜耳作物科学股份公司 2019-05-03 CN disclosed
CN-109715621-A New triazole derivative 拜耳作物科学股份公司 2019-05-03 CN disclosed