SCHEMBL10867828

SCHEMBL10867828

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.46
CYP3A4 P08684 2/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HCAR3 P49019 2/20 0.38
ALDH3A1 P30838 1/20 0.36
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.30
HPD P32754 1/20 0.30

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 SCHEMBL55014 0.85 CYP3A4 (0.64) MAPK1CYP3A4MAPTTDP1TSHR
Ethalfluralin SCHEMBL4899703 0.85 CYP3A4 (0.64) MAPK1CYP3A4MAPTTDP1TSHR
SCHEMBL11500572 0.79 TDP1 (0.69) MAPK1CYP3A4MAPTTDP1TSHR
SCHEMBL10537833 0.76 HCAR3 (0.47) MAPK1CYP3A4MAPTMEN1KMT2A
SCHEMBL9451050 0.75 TDP1 (0.76) MAPK1CYP3A4MAPTTDP1TSHR
SCHEMBL135804 0.75 TDP1 (0.76) MAPK1CYP3A4MAPTTDP1TSHR
SCHEMBL10538633 0.74 KMT2A (0.49) MAPK1MAPTMEN1KMT2AHCAR3
SCHEMBL8857960 0.73 CYP3A4 (0.63) MAPK1CYP3A4MAPTTDP1TSHR
SCHEMBL11461066 0.72 MEN1 (0.51) MAPK1CYP3A4MAPTTDP1TSHR
SCHEMBL3058346 0.72 MEN1 (0.46) MAPK1CYP3A4MAPTTDP1TSHR

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
EP-0200935-A2 Synergistic herbicidal compositions STAUFFER CHEMICAL COMPANY (US) 1986-11-12 EP disclosed