SCHEMBL8669830

SCHEMBL8669830

Cc1ccc(Oc2ccncn2)c(OCc2ccccc2)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
ABCB1 P08183 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SYK P43405 2/20 0.32
LRRK2 Q5S007 1/20 0.32
LIPE Q05469 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BRAF P15056 1/20 0.32
KDR P35968 1/20 0.32
MAPK14 Q16539 1/20 0.32
TNNI3K Q59H18 1/20 0.32
GRM2 Q14416 1/20 0.32
ATP4A P20648 1/20 0.32

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 0.89 LMNA (0.38) MAPK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8667523 0.87 EGFR (0.36) ABCB1LRRK2ALDH1A1MEN1KMT2A
SCHEMBL8669457 0.87 ABCB1 (0.33) PTPN1ABCB1LRRK2LIPEBRAF
SCHEMBL8669449 0.87 SMN1; SMN2 (0.34) PTPN1ABCB1MAPTTDP1L3MBTL1
SCHEMBL8667134 0.86 PPARG (0.34) ABCB1LRRK2LIPEALDH1A1MEN1
SCHEMBL8667055 0.84 PPARG (0.33) ABCB1LRRK2LIPEALDH1A1MEN1
SCHEMBL8665000 0.83 BCHE (0.33) ABCB1MAPTLRRK2BRAFKDR
SCHEMBL8951615 0.74 ABCB1 (0.50) ABCB1MAPTMAPK1TDP1L3MBTL1
SCHEMBL8665890 0.72 KDR (0.34) ALDH1A1BRAFKDRMAPK14TNNI3K
SCHEMBL7697845 0.70 ABCB1 (0.46) ABCB1MAPTMAPK1TDP1L3MBTL1

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