SCHEMBL6279366

SCHEMBL6279366

O=[N+]([O-])c1[c]ncc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HIF1A Q16665 1/20 0.41
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
MAPK1 P28482 2/20 0.36
MAPT P10636 7/20 0.35
PTPN5 P54829 1/20 0.35
FGFR4 P22455 1/20 0.35
KIF11 P52732 2/20 0.34
NPSR1 Q6W5P4 2/20 0.33
HSP90AA1 P07900 1/20 0.33
CXCR5 P32302 1/20 0.33
APLNR P35414 1/20 0.33
CCR6 P51684 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
SCHEMBL4926647 0.76 ATM (0.34) TDP1
SCHEMBL7847765 0.75 ALDH1A1 (0.52) CYP3A4ALDH1A1TSHRTDP1HPGD
SCHEMBL1531216 0.73 CYP19A1 (0.38) CYP3A4ALDH1A1TSHRALOX15MAPK1
SCHEMBL11734011 0.72 ALDH1A1 (0.34) CYP3A4ALDH1A1TSHRTDP1HPGD
SCHEMBL1637757 0.72 TSHR (0.39) CYP3A4ALDH1A1TSHRTDP1MAPT
SCHEMBL4060658 0.72 MAPT (0.32) HPGDMAPTSMN1; SMN2MEN1GAA
SCHEMBL4922723 0.72 ALDH1A1 (0.38) ALDH1A1TSHRTDP1MAPK1
SCHEMBL6223113 0.69 ALDH1A1 (0.46) CYP3A4ALDH1A1TSHRTDP1HPGD
SCHEMBL146794 0.69 ALDH1A1 (0.42) CYP3A4ALDH1A1TSHRTDP1HPGD
SCHEMBL403256 0.69 ALDH1A1 (0.32) ALDH1A1TDP1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016092559-A1 SUBSTITUTED PYRAZOLE DERIVATIVES HAVING ACTIVITY AS FUNGICIDES OAT & IIL INDIA LABORATORIES PRIVATE LIMITED (IN) 2016-06-16 WO disclosed
CN-101454319-B Novel heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO LTD 2012-06-27 CN disclosed
CN-101454319-A Novel heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO LTD (JP) 2009-06-10 CN disclosed
US-6927193-B2 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2005-08-09 US disclosed
CN-1599727-A Aryl ether derivatives, process for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA (JP) 2005-03-23 CN disclosed
US-6613718-B2 2,3-Dihydro-2-thioxo-pyrimidinone derivatives ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-09-02 US disclosed
US-6303543-B1 Diaryl ethers and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-10-16 US disclosed
US-6211190-B1 Pyrimidine derivatives, process and intermediate products for their preparation and pesticides or fungicides containing these derivatives BASF AKTIENGESELLSCHAFT (DE) 2001-04-03 US disclosed
EP-0873305-B1 AZINOOXIMETHERS, PROCESSES AND INTERMEDIATE PRODUCTS FOR MANUFACTURING SAME, AND THE USES THEREOF IN COMBATING HARMFUL FUNGI AND PESTS BASF AG (DE) 2001-03-28 EP disclosed
US-6200997-B1 CYCLIZATION TO GIVE OXAZOLIDINEDIONES AND TRIAZOLIDINEDIONES BASF AKTIENGESELLSCHAFT (DE) 2001-03-13 US disclosed
EP-0873307-B1 CYANIMINO OXIME ETHERS, PROCESS AND INTERMEDIATES FOR THE PREPARATION AND USE THEREOF FOR THE CONTROL OF NOXIOUS FUNGI AND ANIMAL PESTS BASF AG (DE) 2000-05-31 EP disclosed
US-6063813-A FUNGICIDES AND INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-05-16 US disclosed
US-6043282-A FUNGICIDES, PESTICIDES, INSECTICIDES, NEMATOCIDES, MITICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-03-28 US disclosed
CN-1187814-A (hetero) aryloxy-, -thio-and-aminocrotonates, preparation and use thereof BASF AG (DE) 1998-07-15 CN disclosed
CN-1161687-A Phenylacetic acid alkyl esters BASF AG (DE) 1997-10-08 CN disclosed
US-5633256-A Certain pyrimidinyloxy-phenyl acrylates, derivatives thereof and their fungicidal use ZENECA LIMITED (GB) 1997-05-27 US disclosed
US-5602076-A INSECTICIDES, NEMATOCIDES ZENECA LIMITED (GB) 1997-02-11 US disclosed
US-5470819-A Plant growth regulators, insecticides ZENECA LIMITED (GB) 1995-11-28 US disclosed
US-5057146-A CERTAIN 2-PYRIDYL OXY-PHENYL ACRYLATES HAVING FUNGICIDAL, INSECTICIDAL, NEMATOCIDAL AND PLANT GROWTH REGULATING ACTIVITY IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-15 US disclosed
US-5021581-A Fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-04 US disclosed