Benfluralin

Benfluralin

SCHEMBL8522913

CCCCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-].CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.92

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.92
MAPT P10636 3/20 0.92
MAPK1 P28482 2/20 0.92
TDP1 Q9NUW8 3/20 0.82
TSHR P16473 2/20 0.82
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HIF1A Q16665 1/20 0.43
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43
PTPN5 P54829 1/20 0.38
ALDH3A1 P30838 1/20 0.38
HCAR3 P49019 1/20 0.37
VCAM1 P19320 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 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
Benfluralin SCHEMBL8539486 0.96 MAPT (1.00) CYP3A4MAPTMAPK1TDP1TSHR
Benfluralin SCHEMBL16934804 0.96 MAPT (1.00) CYP3A4MAPTMAPK1TDP1TSHR
Benfluralin SCHEMBL16198437 0.96 MAPT (1.00) CYP3A4MAPTMAPK1TDP1TSHR
Benfluralin SCHEMBL55008 0.96 MAPT (1.00) CYP3A4MAPTMAPK1TDP1TSHR
SCHEMBL11202092 0.96 CYP3A4 (0.89) CYP3A4MAPTMAPK1TDP1TSHR
Benfluralin SCHEMBL6234783 0.95 MAPT (0.97) CYP3A4MAPTMAPK1TDP1TSHR
SCHEMBL11204357 0.93 TDP1 (0.89) CYP3A4MAPTMAPK1TDP1TSHR
SCHEMBL7181566 0.93 MAPT (0.89) CYP3A4MAPTMAPK1TDP1TSHR
Benfluralin SCHEMBL7169303 0.92 MAPT (0.78) CYP3A4MAPTMAPK1TDP1TSHR
Trifluralin SCHEMBL21994 0.91 TDP1 (1.00) CYP3A4MAPTMAPK1TDP1TSHR

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-1999009834-A2 METHOD FOR IMPROVING SOIL MICROORGANISM POPULATION PHYLAXIA PHARMA RT. (HU) 1999-03-04 WO disclosed