SCHEMBL8857960

SCHEMBL8857960

C=C(CC)CN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.63
MAPK1 P28482 3/20 0.63
MAPT P10636 3/20 0.63
TDP1 Q9NUW8 3/20 0.61
TSHR P16473 2/20 0.61
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
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
HPD P32754 1/20 0.40
PTPN5 P54829 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37

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
Ethalfluralin SCHEMBL4899703 0.88 CYP3A4 (0.64) CYP3A4MAPK1MAPTTDP1TSHR
Ethalfluralin SCHEMBL55014 0.88 CYP3A4 (0.64) CYP3A4MAPK1MAPTTDP1TSHR
SCHEMBL11203878 0.85 CYP3A4 (0.78) CYP3A4MAPK1MAPTTDP1TSHR
SCHEMBL11204357 0.80 TDP1 (0.89) CYP3A4MAPK1MAPTTDP1TSHR
SCHEMBL11205360 0.79 CYP3A4 (0.66) CYP3A4MAPK1MAPTTDP1TSHR
SCHEMBL135804 0.79 TDP1 (0.76) CYP3A4MAPK1MAPTTDP1TSHR
SCHEMBL9451050 0.79 TDP1 (0.76) CYP3A4MAPK1MAPTTDP1TSHR
SCHEMBL11520218 0.78 MAPK1 (0.64) CYP3A4MAPK1MAPTTDP1TSHR
Benfluralin SCHEMBL16198437 0.77 MAPT (1.00) CYP3A4MAPK1MAPTTDP1TSHR
Benfluralin SCHEMBL8539486 0.77 MAPT (1.00) CYP3A4MAPK1MAPTTDP1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5635448-A 3-SUBSTITUTED PHENYLPYRAZOLE DERIVATIVES ASAMURA PATENT OFFICE (JP) 1997-06-03 US disclosed
EP-0619946-A1 Herbicidal composition for upland farming and weeding method NIHON NOHYAKU CO., LTD. (JP) 1994-10-19 EP disclosed