SCHEMBL9799580

SCHEMBL9799580

O=[N+]([O-])c1cccc(C(=NO)C(F)(F)Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
TSHR P16473 4/20 0.54
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
TP53 P04637 1/20 0.51
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
LMNA P02545 2/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
F2 P00734 1/20 0.44
PLAU P00749 1/20 0.44
KLKB1 P03952 1/20 0.44
ELANE P08246 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL6851521 0.88 CES2 (0.56) ALDH1A1TSHRCES2CES1TP53
SCHEMBL6627375 0.88 CES2 (0.56) ALDH1A1TSHRCES2CES1TP53
SCHEMBL9799777 0.85 CES2 (0.53) ALDH1A1TSHRCES2CES1TP53
SCHEMBL9799783 0.85 CES2 (0.53) ALDH1A1TSHRCES2CES1TP53
SCHEMBL4864259 0.76 ALDH1A1 (0.67) ALDH1A1TSHRCES2CES1TP53
SCHEMBL27963505 0.76 CES2 (0.61) ALDH1A1TSHRCES2CES1TP53
SCHEMBL29642587 0.76 ALDH1A1 (0.67) ALDH1A1TSHRCES2CES1TP53
SCHEMBL2045140 0.76 ALDH1A1 (0.67) ALDH1A1TSHRCES2CES1TP53
SCHEMBL4218702 0.76 ALDH1A1 (0.67) ALDH1A1TSHRCES2CES1TP53
SCHEMBL29642599 0.73 TSHR (0.67) ALDH1A1TSHRCES2CES1TP53

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