SCHEMBL5330560

SCHEMBL5330560

CCCCCc1[nH]c(C(F)(F)F)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 2/20 0.37
GLA P06280 1/20 0.37
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
GPR84 Q9NQS5 7/20 0.32
BCAT2 O15382 1/20 0.32
BCAT1 P54687 1/20 0.32
CYP3A4 P08684 1/20 0.32
PTGS2 P35354 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
SCHEMBL8807946 0.78 PTGS2 (0.35) ARKDM4EALDH1A1HPGDGAA
SCHEMBL9015231 0.78 PTGS2 (0.35) KDM4EALDH1A1TSHRHTTMAPT
SCHEMBL8802718 0.76 KDM4E (0.38) ARKDM4EALDH1A1HPGDGAA
SCHEMBL375607 0.70 NOTUM (0.46) ARKDM4EALDH1A1HPGDGAA
SCHEMBL8800614 0.68 PTGS2 (0.35) KDM4EALDH1A1TSHRHTTMAPT
SCHEMBL16339341 0.67 AR (0.58) ARTSHRHSD17B10
SCHEMBL9019307 0.66 GPR84 (0.45) ALDH1A1TSHRHSD17B10GPR84
SCHEMBL8652250 0.66 TSHR (0.44) KDM4EALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL10674805 0.65 GAA (0.37) ARKDM4EALDH1A1HPGDGAA
SCHEMBL8450876 0.64 TSHR (0.44) ARALDH1A1HPGDTSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102746208-A Economic preparation method of 4-bromine-2-aryl-5-trifluoromethyl-1H-pyrrole-3-nitrile XINYI YONGLONG CHEMICAL CO LTD 2012-10-24 CN claimed
CN-1193988-C Preparation of 2-aryl-5-(trifluoride) pyrrole-3-nitrile and its use and preparation of its intermediate thereof JIANGSU PESTICDIDE INST CO LTD (CN) 2005-03-23 CN claimed
CN-1439634-A Preparation of 2-aryl-5-(trifluoride) pyrrole-3-nitrile and its use and preparation of its intermediate thereof JIANGSU PESTICIDE INST CO LTD (CN) 2003-09-03 CN claimed
EP-0531702-B1 Process for the manufacture of insecticidal, nematicidal and acaricidal 2-aryl-3-subst. -5-(trifluoromethyl)pyrrole compounds from N-(subst. benzyl)-2,2,2-trifluoroacetimidoyl chloride compounds BASF AG (DE) 2001-05-30 EP claimed
US-5537260-A Catadioptric optical reduction system with high numerical aperture SVG LITHOGRAPHY SYSTEMS, INC. (US) 1996-07-16 US claimed
JP-6279402-A None JP disclosed
CN-102746208-A Economic preparation method of 4-bromine-2-aryl-5-trifluoromethyl-1H-pyrrole-3-nitrile XINYI YONGLONG CHEMICAL CO LTD 2012-10-24 CN disclosed
EP-0816347-B1 Ammonium oxazole- and amino oxazolium intermediates, methods for their preparation and their use in the manufacture of insecticidal, acaricidal and nematocidal arylpyrrole derivatives BASF AG (DE) 2007-06-20 EP disclosed
CN-1193988-C Preparation of 2-aryl-5-(trifluoride) pyrrole-3-nitrile and its use and preparation of its intermediate thereof JIANGSU PESTICDIDE INST CO LTD (CN) 2005-03-23 CN disclosed
CN-1439634-A Preparation of 2-aryl-5-(trifluoride) pyrrole-3-nitrile and its use and preparation of its intermediate thereof JIANGSU PESTICIDE INST CO LTD (CN) 2003-09-03 CN disclosed
EP-0826667-B1 2 Aryl 5 (trifluoromethyl) 2 pyrroline compounds and process for the manufacture of insecticidal, 2 aryl 1 (alkoxymethyl) 4 halo 5 (trifluoromethyl) pyrroles BASF AG (DE) 2002-10-30 EP disclosed
EP-0713868-B1 Process for the manufacture of insecticidal arylpyrroles via oxazole amine intermediates BASF AG (DE) 2002-01-16 EP disclosed
US-5194630-A Halogenation and etherification of 2-aryl-1-methyl-2-pyrroline AMERICAN CYANAMID COMPANY (US) 1993-03-16 US disclosed
CN-1063281-A 2-aryl-5- (trifluoromethyl) -2-pyrroline compounds and process for preparing insecticide, 2-aryl-1- (alkoxymethyl) -4-halo-5- (trifluoromethyl) pyrrole AMERICAN CYANAMID CO (US) 1992-08-05 CN disclosed
EP-0492171-A1 2-Aryl-5-trifluoromethyl)-2-pyrroline compounds and process for the manufacture of insecticidal, 2-aryl-1-(alkoxymethyl)-4-halo-5-(trofluoromethyl) pyrroles AMERICAN CYANAMID COMPANY (US) 1992-07-01 EP disclosed
US-5010098-A Arylpyrrole insecticidal acaricidal and nematicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1991-04-23 US disclosed
US-4929634-A ARYLPYRROLE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1990-05-29 US disclosed
EP-0358047-A2 Method of controlling phytopathogenic fungi AMERICAN CYANAMID COMPANY (US) 1990-03-14 EP disclosed
EP-0347488-A1 Arylpyrrole insecticidal acaricidal and nematicidal agents and method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1989-12-27 EP disclosed
EP-0312723-A2 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID COMPANY (US) 1989-04-26 EP disclosed