SCHEMBL8960070

SCHEMBL8960070

CCOC(=O)COc1cc(F)c(-n2cnc(C(F)(F)F)c(Cl)c2=O)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
PPOX P50336 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 4/20 0.37
NPSR1 Q6W5P4 3/20 0.37
KDM4E B2RXH2 2/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GPR174 Q9BXC1 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 3/20 0.35
CYP3A4 P08684 1/20 0.35
NTSR1 P30989 1/20 0.35
NPC1 O15118 1/20 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
SCHEMBL8960340 0.84 PLA2G4B (0.35) MAPTPPOXMEN1KMT2ACYP1A2
SCHEMBL8960096 0.82 PLA2G4B (0.35) MAPTPPOXMEN1KMT2ACYP1A2
SCHEMBL8960163 0.78 HCAR1 (0.37) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL12065746 0.75 MAPT (0.49) MAPTPPOXMEN1KMT2ACYP1A2
SCHEMBL9863069 0.74 MAPT (0.50) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL27318893 0.74 MAPT (0.41) MAPTPPOXMEN1KMT2ACYP1A2
SCHEMBL6735480 0.71 MAPT (0.42) MAPTPPOXMEN1KMT2ACYP1A2
SCHEMBL8960266 0.71 ALDH1A1 (0.37) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL29136555 0.71 MAPT (0.44) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL16063494 0.70 PPOX (0.41) MAPTPPOXMEN1KMT2ACYP1A2

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
US-5532208-A HERBICIDES SUMITOMO CHEMICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5366955-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-11-22 US disclosed
EP-0568041-A1 Pyrimidone derivatives and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-03 EP disclosed