SCHEMBL9292633

SCHEMBL9292633

Cc1cccc(C(F)(F)F)c1N(COC(C)C)C(=O)CCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TP53 P04637 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 1/20 0.50
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RORC P51449 1/20 0.36
NR1I2 O75469 1/20 0.34
NPC1 O15118 2/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 2/20 0.34
PAX8 Q06710 2/20 0.34
XPO1 O14980 1/20 0.33
NNMT P40261 3/20 0.33
HPGD P15428 1/20 0.33
JAK2 O60674 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL10665396 0.90 TP53 (0.50) ALDH1A1TP53TDP1CYP3A4MEN1
SCHEMBL9614221 0.87 ALDH1A1 (0.59) ALDH1A1TP53TDP1CYP3A4MEN1
SCHEMBL11099540 0.86 TP53 (0.58) ALDH1A1TP53TDP1CYP3A4MEN1
SCHEMBL10663763 0.86 TP53 (0.54) ALDH1A1TP53TDP1CYP3A4MEN1
SCHEMBL8200987 0.85 TP53 (0.69) ALDH1A1TP53TDP1CYP3A4MEN1
SCHEMBL10871245 0.83 ALDH1A1 (0.48) ALDH1A1TP53TDP1CYP3A4MEN1
SCHEMBL9292342 0.82 TP53 (0.58) ALDH1A1TP53TDP1CYP3A4MEN1
SCHEMBL29349823 0.81 TP53 (0.74) ALDH1A1TP53TDP1CYP3A4MEN1
SCHEMBL65705 0.81 TP53 (0.74) ALDH1A1TP53TDP1CYP3A4MEN1
SCHEMBL8527963 0.81 ALDH1A1 (0.38) ALDH1A1TP53TDP1CYP3A4MEN1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4602454-A PLANT SAFENING AGENTS, SEEDS CHLOROACETAMIDE HERBICIDES MONSANTO COMPANY (US) 1986-07-29 US claimed
US-4602937-A PLANT SAFENING AGENTS, ACETAMIDE HERBICIDE MONSANTO COMPANY (US) 1986-07-29 US claimed
US-4586948-A 2,4-disubstituted-5-thiazole-carboxylic acids and derivatives MONSANTO COMPANY (US) 1986-05-06 US claimed
US-4437875-A PLANT SAFENING AGENT FOR ACETAMIDE HERBICIDE MONSANTO COMPANY (US) 1984-03-20 US claimed
US-4437876-A PLANT SAFENING AGENTS FOR ACETAMIDE HERBICIDES MONSANTO COMPANY (US) 1984-03-20 US claimed
EP-0064353-A1 Use of 2,4-disubstituted-5-thiazolecarboxylic acids and derivatives for reducing injury to crop plants by acetamide herbicides MONSANTO COMPANY (US) 1982-11-10 EP claimed
US-5321000-A Benzhydryl compounds as herbicide antidotes MONSANTO COMPANY (US) 1994-06-14 US disclosed
EP-0230871-B1 HALOACYL 1-SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINES AS HERBICIDE ANTIDOTES Monsanto Company (US) 1993-09-22 EP disclosed
US-5162537-A To safen acetamide herbicids used to control grassy and broadleaf weeds in rice, sorghum and wheat MONSANTO COMPANY (US) 1992-11-10 US disclosed
US-5000775-A 2-amino-4,5-disubstituted-oxazole/thiazole compounds as herbicide antidotes MONSANTO COMPANY (US) 1991-03-19 US disclosed
US-4964893-A REDUCING INJURY TO A CROP PLANT MONSANTO COMPANY (US) 1990-10-23 US disclosed
US-4859232-A Substituted-aryl cyclopropanecarbonitriles and derivatives thereof as herbicide antidotes MONSANTO COMPANY (US) 1989-08-22 US disclosed
US-4846880-A 2-(Dichloroacetyl)-3-substituted-1,2,3,4-tetrahydroisoquinolines as herbicide antidotes MONSANTO COMPANY (US) 1989-07-11 US disclosed
US-4584012-A PLANT SAFENING AGENTS MONSANTO COMPANY (US) 1986-04-22 US disclosed
US-4437875-A PLANT SAFENING AGENT FOR ACETAMIDE HERBICIDE MONSANTO COMPANY (US) 1984-03-20 US disclosed
US-4437876-A PLANT SAFENING AGENTS FOR ACETAMIDE HERBICIDES MONSANTO COMPANY (US) 1984-03-20 US disclosed
US-4416687-A 3,5-Bis (trifluoromethyl)phenoxy carboxylic acids and derivatives thereof MONSANTO COMPANY (US) 1983-11-22 US disclosed
EP-0088066-A1 3,5-Bis (trifluoromethyl) phenoxy carboxylic acids and derivatives thereof MONSANTO COMPANY (US) 1983-09-07 EP disclosed
EP-0064353-A1 Use of 2,4-disubstituted-5-thiazolecarboxylic acids and derivatives for reducing injury to crop plants by acetamide herbicides MONSANTO COMPANY (US) 1982-11-10 EP disclosed
EP-0064353-A1 Use of 2,4-disubstituted-5-thiazolecarboxylic acids and derivatives for reducing injury to crop plants by acetamide herbicides MONSANTO COMPANY (US) 1982-11-10 EP disclosed