SCHEMBL8665000

SCHEMBL8665000

C=CCOc1ccc(Oc2ccncn2)c(OCc2ccccc2)c1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.33
GRM2 Q14416 1/20 0.32
EGFR P00533 2/20 0.32
ERBB2 P04626 2/20 0.32
ABCB1 P08183 1/20 0.31
MAPK14 Q16539 2/20 0.31
APOBEC3G Q9HC16 1/20 0.31
LRRK2 Q5S007 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.30
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30
PSEN1 P49768 1/20 0.30
BRAF P15056 1/20 0.30
KDR P35968 1/20 0.30
TNNI3K Q59H18 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
SCHEMBL8664727 0.85 LMNA (0.38) BCHE
SCHEMBL8669830 0.83 PTPN1 (0.38) GRM2ABCB1MAPK14LRRK2MAPT
SCHEMBL8669449 0.83 SMN1; SMN2 (0.34) GRM2ABCB1MAPK14LRRK2MAPT
SCHEMBL8669457 0.83 ABCB1 (0.33) GRM2ABCB1MAPK14LRRK2BRAF
SCHEMBL8667523 0.83 EGFR (0.36) GRM2EGFRERBB2ABCB1MAPK14
SCHEMBL8667134 0.80 PPARG (0.34) GRM2ABCB1MAPK14LRRK2PTGES
SCHEMBL8667055 0.79 PPARG (0.33) ABCB1LRRK2PTGESALOX5PSEN1
SCHEMBL8668648 0.75 KDR (0.34) MAPK14BRAFKDRTNNI3K
SCHEMBL8951615 0.71 ABCB1 (0.50) ABCB1MAPK14POLBMAPT
SCHEMBL7697845 0.67 ABCB1 (0.46) ABCB1MAPK14MAPT

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
US-5723412-A HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-03-03 US disclosed