SCHEMBL8429227

SCHEMBL8429227

O=[N+]([O-])c1ccc2c(c1-c1n[nH]cc1Cl)OC(F)(F)O2

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL8427218 0.79 ADORA2A (0.32)
SCHEMBL8885657 0.75 CA1 (0.33)
SCHEMBL8427158 0.71 DRD2 (0.34)
SCHEMBL9688017 0.69 ALDH1A1 (0.39) TDP1TSHRMAPK1
SCHEMBL8975989 0.65 TDP1 (0.42) TDP1TSHR
SCHEMBL8757316 0.65 ALDH1A1 (0.46) TDP1TSHRMAPK1
SCHEMBL8884101 0.61 JAK2 (0.34)
SCHEMBL16798668 0.60 ALDH1A1 (0.35) TDP1TSHRMAPK1
SCHEMBL10566808 0.59 MAPT (0.43) TDP1TSHRMAPK1
SCHEMBL8759364 0.59 TSHR (0.50) TDP1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5945382-A AND A METHOD OF THEIR PREPARATION BY CHLORINATION OF AN INTERMEDIATE ARYLPYRAZOLE; PROTECTION AGAINST FUNGAL DISEASES IN TOMATO, RICE, AND WHEAT PLANTS RHONE-POULENC AGROCHIMIE (FR) 1999-08-31 US disclosed
EP-0769905-A1 FUNGICIDAL COMPOSITIONS CONTAINING 3-PHENYL-PYRAZOLE DERIVATIVES FOR TREATING PROPAGATIVE PLANT STOCK, NOVEL 3-PHENYL-PYRAZOLE DERIVATIVES, AND FUNGICIDAL USES THEREOF RHONE-POULENC AGROCHIMIE (FR) 1997-05-02 EP disclosed
WO-1996002138-A1 FUNGICIDAL COMPOSITIONS CONTAINING 3-PHENYL-PYRAZOLE DERIVATIVES FOR TREATING PROPAGATIVE PLANT STOCK, NOVEL 3-PHENYL-PYRAZOLE DERIVATIVES, AND FUNGICIDAL USES THEREOF RHONE POULENC AGROCHIMIE (FR) 1996-02-01 WO disclosed
EP-0638070-A1 FUNGICIDAL ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1995-02-15 EP disclosed
WO-1993022287-A1 FUNGICIDAL ARYLPYRAZOLES RHONE POULENC AGROCHIMIE (FR) 1993-11-11 WO disclosed