SCHEMBL8530433

SCHEMBL8530433

CCc1cccc(C(F)(F)F)c1N(Cn1cccn1)C(=O)CCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.44
TDP1 Q9NUW8 2/20 0.41
NR1I2 O75469 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AR P10275 1/20 0.37
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
P2RX7 Q99572 3/20 0.35
POLQ O75417 1/20 0.34
XPO1 O14980 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL9367287 0.89 TP53 (0.56) TP53TDP1NR1I2ALDH1A1CYP3A4
SCHEMBL10730497 0.85 TP53 (0.43) TP53TDP1NR1I2ALDH1A1CYP3A4
SCHEMBL10733657 0.84 TP53 (0.45) TP53TDP1NR1I2ALDH1A1CYP3A4
SCHEMBL8433228 0.84 TP53 (0.59) TP53TDP1NR1I2ALDH1A1CYP3A4
SCHEMBL10732595 0.82 TP53 (0.42) TP53TDP1NR1I2ALDH1A1CYP3A4
SCHEMBL11101707 0.81 TP53 (0.55) TP53TDP1NR1I2ALDH1A1CYP3A4
SCHEMBL10732053 0.80 TP53 (0.45) TP53TDP1NR1I2ALDH1A1CYP3A4
SCHEMBL10732674 0.79 TP53 (0.44) TP53TDP1NR1I2ALDH1A1CYP3A4
Metazachlor SCHEMBL4896537 0.79 TP53 (0.48) TP53TDP1NR1I2ALDH1A1CYP3A4
SCHEMBL8460980 0.79 TP53 (0.43) TP53TDP1NR1I2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710100-A ANTIDOTES WITH HERBICIDES FOR CROPS SUCH AS CORN MONSANTO COMPANY (US) 1998-01-20 US disclosed
US-5321000-A Benzhydryl compounds as herbicide antidotes MONSANTO COMPANY (US) 1994-06-14 US disclosed
US-5256626-A Herbicidal compositions safened by 5-heterocyclic-substituted oxazolidine dihaloacetamides compounds MONSANTO COMPANY (US) 1993-10-26 US disclosed
US-5256625-A Imidazolinone derivatives MONSANTO COMPANY (US) 1993-10-26 US disclosed
US-5256630-A Safening mixtures of sulfonylurea and acetanilide herbicides MONSANTO COMPANY (US) 1993-10-26 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-5225570-A Plant safening agents for crops treated with herbicides MONSANTO COMPANY (US) 1993-07-06 US 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
EP-0304409-B1 5-HETEROCYCLIC-SUBSTITUTED OXAZOLIDINE HALOACETAMIDES MONSANTO CO (US) 1992-10-28 EP disclosed
EP-0436483-A2 Safening imidazolinone herbicides MONSANTO COMPANY (US) 1991-07-10 EP disclosed
EP-0436484-A2 Safening mixtures of sulfonylurea and acetanilide herbicides MONSANTO COMPANY (US) 1991-07-10 EP 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-4818270-A CROPS PLANT SAFENING AGENT MONSANTO COMPANY (US) 1989-04-04 US disclosed
US-4755218-A Reducing acetochlor injury to corn by applying with antidote MONSANTO COMPANY (US) 1988-07-05 US disclosed
EP-0230871-A2 Haloacyl 1-substituted-1,2,3,4-tetrahydroisoquinolines as herbicide antidotes Monsanto Company (US) 1987-08-05 EP disclosed