SCHEMBL9799512

SCHEMBL9799512

O/N=C\C(c1ccc(OC(F)(F)F)cc1)C(F)(F)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.42
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
EPAS1 Q99814 1/20 0.38
EPHX2 P34913 1/20 0.37
MAOB P27338 1/20 0.35
AOC3 Q16853 1/20 0.35
GAA P10253 2/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL9799547 0.84 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL9799551 0.80 TSHR (0.41) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL23149869 0.70 PDE2A (0.44) PDE2AALDH1A1MAPTKMT2AMEN1
SCHEMBL9570882 0.69 PDE2A (0.42) PDE2AALDH1A1MAPTKMT2AMEN1
SCHEMBL2092438 0.69 PDE2A (0.49) PDE2AALDH1A1MAPTKMT2AMEN1
SCHEMBL29118208 0.69 PDE2A (0.49) PDE2AALDH1A1MAPTKMT2AMEN1
SCHEMBL646362 0.69 TOP2A (0.49) PDE2AALDH1A1MAPTKMT2AMEN1
SCHEMBL14033589 0.69 PDE2A (0.49) PDE2AALDH1A1MAPTKMT2ATSHR
SCHEMBL16771224 0.69 PDE2A (0.49) PDE2AALDH1A1MAPTKMT2AMEN1
SCHEMBL2166803 0.68 KMT2A (0.49) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5041663-A Plant safening agents CIBA-GEIGY CORPORATION (US) 1991-08-20 US disclosed
US-5032169-A Antidotes for herbicides CIBA-GEIGY CORPORATION (US) 1991-07-16 US disclosed
US-4759789-A Treating locus of plant before or during application of herbicide with oxime ether compound CIBA-GEIGY CORPORATION (US) 1988-07-26 US disclosed
US-4707182-A Phenoxine-ketal ethers, compositions containing them and the use thereof CIBA-GEIGY CORPORATION (US) 1987-11-17 US disclosed
US-4576628-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-03-18 US disclosed
US-4566901-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-01-28 US disclosed
US-4530716-A Plant safening agent CIBA-GEIGY CORPORATION (US) 1985-07-23 US disclosed