SCHEMBL8569450

SCHEMBL8569450

CC(=O)Oc1cc(F)c(-c2nn(C)c(C(F)(F)F)c2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32
MAPT P10636 3/20 0.32
RECQL P46063 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
ALDH3A1 P30838 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
SCHEMBL9538983 0.96 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1CYP3A4HPGDALOX15
SCHEMBL8569813 0.87 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1CYP3A4HPGDALOX15
SCHEMBL6849426 0.86 PPARD (0.32) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL8566681 0.85 PKM (0.39) ALDH1A1MAPTMEN1KMT2A
SCHEMBL27509022 0.85 TLR2 (0.38) SMN1; SMN2ALDH1A1HPGDALOX15TDP1
SCHEMBL6843950 0.84 TDP1 (0.39) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL8566841 0.83 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1CYP3A4HPGDALOX15
SCHEMBL7747330 0.83 RAB9A (0.33) SMN1; SMN2ALDH1A1CYP3A4HPGDALOX15
SCHEMBL6909705 0.83 BACE1 (0.35) SMN1; SMN2ALDH1A1HPGDMAPTMEN1
SCHEMBL8571516 0.83 ALDH1A1 (0.37) ALDH1A1CYP3A4HPGDALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0553307-B1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO CO (US) 1998-12-09 EP disclosed
EP-0553307-A1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO COMPANY (US) 1993-08-04 EP disclosed
WO-1992006962-A1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO COMPANY (US) 1992-04-30 WO disclosed