SCHEMBL5838876

SCHEMBL5838876

FC(F)(F)c1cccc(Oc2ccnc(-c3ccccc3C(F)(F)F)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 12/20 0.48
CYP2C19 P33261 10/20 0.48
CYP3A4 P08684 9/20 0.48
TSHR P16473 6/20 0.48
HSD17B10 Q99714 5/20 0.48
ALDH1A1 P00352 4/20 0.48
ALOX15 P16050 4/20 0.48
MAPK1 P28482 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
HIF1A Q16665 1/20 0.48
FFAR4 Q5NUL3 1/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 6/20 0.44
CLK4 Q9HAZ1 2/20 0.44
GLA P06280 1/20 0.44
CYP2D6 P10635 6/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 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
SCHEMBL29387718 0.81 FFAR4 (0.52) CYP1A2CYP2C19ALDH1A1MAPK1FFAR4
SCHEMBL336755 0.81 FFAR4 (0.52) CYP1A2CYP2C19ALDH1A1MAPK1FFAR4
SCHEMBL6177990 0.79 FFAR4 (0.53) CYP1A2CYP2C19ALDH1A1MAPK1TDP1
SCHEMBL3087080 0.78 FFAR4 (0.47) CYP1A2CYP2C19ALDH1A1MAPK1TDP1
SCHEMBL6180609 0.78 FFAR4 (0.50) CYP1A2CYP2C19ALDH1A1FFAR4MAPT
SCHEMBL8723629 0.78 MAPT (0.52) CYP1A2CYP2C19ALDH1A1MAPK1FFAR4
SCHEMBL29607042 0.75 MAPT (0.65) CYP1A2CYP2C19ALDH1A1MAPK1MAPT
SCHEMBL8773158 0.75 MAPT (0.65) CYP1A2CYP2C19ALDH1A1MAPK1MAPT
SCHEMBL8720576 0.73 MAPT (0.48) CYP1A2CYP2C19ALDH1A1MAPK1TDP1
SCHEMBL8668427 0.73 GAA (0.51) CYP1A2CYP2C19ALDH1A1MAPK1TDP1

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-7008905-B2 Method of combating undesired plant growth on cereals BASF AKTIENGESELLSCHAFT (DE) 2006-03-07 US claimed