SCHEMBL8799245

SCHEMBL8799245

O=C(Cc1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.64
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CTBP2 P56545 1/20 0.47
CNR2 P34972 3/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
PIK3CA P42336 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL10431529 0.81 CES1 (0.67) CES1NPC1RAB9ACTBP2LMNA
SCHEMBL1477511 0.79 L3MBTL1 (0.54) NPC1RAB9ACTBP2CNR2L3MBTL1
SCHEMBL28268026 0.79 CES1 (0.64) CES1NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL17073597 0.79 CES1 (0.64) CES1NPC1RAB9ACTBP2L3MBTL1
SCHEMBL28264746 0.79 CES1 (0.64) CES1
SCHEMBL1042453 0.78 CES1 (1.00) CES1MEN1KMT2A
SCHEMBL5709778 0.78 CES1 (1.00) CES1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5659578 0.77 CA2 (0.50) CES1NPC1RAB9ACTBP2CNR2
SCHEMBL29475161 0.77 CES1 (0.61) CES1CTBP2SMN1; SMN2PIK3CAMEN1
SCHEMBL28265966 0.77 CES1 (0.61) CES1CTBP2SMN1; SMN2PIK3CAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118772034-A Preparation process of 2-p-chlorophenyl-5- (trifluoromethyl) pyrrole-3-nitrile 山东亿嘉农化有限公司 2024-10-15 CN disclosed
CN-104016899-A Synthetic method for chlorfenapyr UNIV ZHEJIANG NORMAL 2014-09-03 CN disclosed
EP-0481182-B1 Bis- and tris(trifluoromethyl) arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID CO (US) 1997-01-29 EP disclosed
EP-0485716-B1 Process for the preparation of insecticidal, acaricidal and nematicidal 4-substituted-5-(trifluoromethyl)pyrrole-3-carbonitrile compounds AMERICAN CYANAMID CO (US) 1996-02-28 EP disclosed
US-5281719-A Reacting a methyl N-((trimethylsilyl)methyl)thiobenzimidate with 2,3-dichloro-hexafluorobutene to give a 2-aryl-3,4-bis-(trifluoromethyl)pyrrole and reacting this with a halogenating compound AMERICAN CYANAMID COMPANY (US) 1994-01-25 US disclosed
US-5229524-A Bis-and tris (trifluoromethyl) arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 1993-07-20 US disclosed
US-5157047-A Miticides AMERICAN CYANAMID COMPANY (US) 1992-10-20 US disclosed
EP-0485716-A1 Process for the preparation of insecticidal, acaricidal and nematicidal 4-substituted-5-(trifluoromethyl)pyrrole-3-carbonitrile compounds AMERICAN CYANAMID COMPANY (US) 1992-05-20 EP disclosed
EP-0481182-A1 Bis- and tris(trifluoromethyl) arylpyrrole insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 1992-04-22 EP disclosed
US-5106985-A PROCESS FOR THE PREPARATION OF INSECTICIDAL, NEMATICIDAL AND ACARICIDAL 4-SUBSTITUTED-5-(TRIFLUOROMETHYL)PYRROLE-3-CARBONITRILE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1992-04-21 US disclosed
US-4859699-A Substituted N-benzoyl-N'-thienylureas SANDOZ LTD. (CH) 1989-08-22 US disclosed
EP-0300972-A1 Substituted N-benzoyl-N'-thienyl ureas, and their use as insecticides SANDOZ AG (CH) 1989-01-25 EP disclosed