SCHEMBL8199722

SCHEMBL8199722

O=C(c1cccc(C(F)(F)F)c1)c1cc(Oc2cccc(C(F)(F)F)c2)ncn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
GAA P10253 2/20 0.51
CNR2 P34972 2/20 0.48
KDR P35968 9/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
MAPK14 Q16539 6/20 0.47
TNNI3K Q59H18 6/20 0.47
BRAF P15056 6/20 0.47
RAB9A P51151 1/20 0.46
SRD5A2 P31213 1/20 0.46
CES2 O00748 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
PDGFRB P09619 1/20 0.44
KIT P10721 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44

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
SCHEMBL7780181 0.88 KDR (0.45) MAPTGAACNR2KDRMAPK14
SCHEMBL4244096 0.81 L3MBTL1 (0.57) MAPTGAAKDRL3MBTL1MAPK1
SCHEMBL7783065 0.78 ALDH1A1 (0.54) MAPTGAAKDRL3MBTL1ALDH1A1
SCHEMBL8773803 0.77 ALDH1A1 (0.53) MAPTGAAKDRL3MBTL1ALDH1A1
SCHEMBL7780979 0.76 ALDH1A1 (0.52) MAPTGAAKDRL3MBTL1MAPK1
SCHEMBL12825474 0.75 KDR (0.62) MAPTGAAKDRL3MBTL1MAPK1
SCHEMBL16202045 0.75 KDR (0.62) MAPTKDRL3MBTL1MAPK1ALDH1A1
SCHEMBL8185361 0.75 KDR (0.46) KDRBRAFFLT1
SCHEMBL4239378 0.74 ABL1 (0.69) MAPTGAAKDRMAPK1MAPK14
SCHEMBL7775883 0.73 MAPT (0.48) MAPTGAAKDRL3MBTL1MAPK1

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
WO-2000049001-A2 PHENOXY-, PHENYLTHIO-, PHENYLAMINO-, BENZYLOXY-, BENZYLTHIO- OR BENZYLAMINOPYRIMIDINE INSECTIDICES AND ACARICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-08-24 WO disclosed