SCHEMBL9944130

SCHEMBL9944130

Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
TDP1 Q9NUW8 4/20 0.43
TSHR P16473 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP3A4 P08684 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 2/20 0.43
GALR3 O60755 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HIF1A Q16665 1/20 0.43
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43
GPR35 Q9HC97 1/20 0.42
PDE7A Q13946 1/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL1459269 0.87 ALDH1A1 (0.54) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL27508685 0.83 ALDH1A1 (0.45) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL1799874 0.82 ALDH1A1 (0.64) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL768569 0.81 ALDH1A1 (0.60) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL27455048 0.81 ALDH1A1 (0.46) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL28256008 0.81 ALDH1A1 (0.61) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL1943291 0.81 ALDH1A1 (0.58) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL29623700 0.81 ALDH1A1 (0.58) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL16451131 0.80 ALDH1A1 (0.51) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL1944799 0.79 ALDH1A1 (0.47) ALDH1A1TDP1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110078623-A A method of preparing 2,2 '-two -4,4 '-dinitro biphenyl of trifluoromethyl 天津市均凯化工科技有限公司 2019-08-02 CN claimed
CN-106008185-A Tetramine monomer and preparation method and application thereof 吉林大学 2016-10-12 CN claimed
CN-103408442-A Aromatic diamine monomer containing bis(trifluoromethyl), bisisopropyl and fluorenyl structures simultaneously, and preparation method and application thereof UNIV CHANGZHOU 2013-11-27 CN claimed
CN-102976983-A Sulfuryl fluorine-containing diamine compound and polyimide film material and preparation method thereof UNIV HUAZHONG SCIENCE TECH 2013-03-20 CN claimed
CN-102875414-A Preparation method of 4-amino-2-trifluoromethyl cyanophenyl CHANGZHOU WATSON FINE CHEMICALS CO LTD 2013-01-16 CN claimed
CN-102174199-B Polyether sulfone containing side group as well as preparation method and application thereof in gas separation membrane UNIV JILIN 2012-12-26 CN claimed
CN-102796015-A Double trifluoromethyl substituent-containing asymmetric aromatic diamine monomer and preparation method thereof UNIV CHANGZHOU 2012-11-28 CN claimed
CN-101591278-B Method for preparing 4,4'-bis(4-nitro-2-trifluoromethylphenoxy)diphenylsulfone UNIV DONGHUA 2012-11-07 CN claimed
CN-101445484-B Trifluoromethyl substituted aromatic diamines monomer with double miscellaneous naphthalenone structures and preparation thereof UNIV DONGHUA 2012-05-09 CN claimed
CN-101397254-B Method for preparing 2,2-bis[4-(2-trifluoromethyl-4-nitrophenoxy)phenyl] propane UNIV DONGHUA 2011-11-09 CN claimed
CN-102174199-A Polyether sulfone containing side group as well as preparation method and application thereof in gas separation membrane UNIV JILIN 2011-09-07 CN claimed
CN-101274914-B Asymmetric aromatic diamine having naphthalenone binaphthyl structure, preparation and use thereof UNIV DONGHUA 2011-06-22 CN claimed
CN-102093559-A Electronic packaging polyimide material and synthesizing method thereof UNIV TAIYUAN TECHNOLOGY 2011-06-15 CN claimed
CN-101270059-B Unsymmetrical fragrant diamine containing fluorine, preparation and application in synthesizing polyimide thereof UNIV DONGHUA 2010-07-28 CN claimed
CN-101591278-A The preparation method of 4,4 '-two (4-nitro-2-4-trifluoromethylphenopendant) sulfobenzide UNIV DONGHUA (CN) 2009-12-02 CN claimed
CN-101445484-A Aromatic diamines monomer with double miscellaneous naphthalenone structures and trifluoromethyl substituted and preparation thereof UNIV DONGHUA (CN) 2009-06-03 CN claimed
CN-101337892-A Method for preparing 2-brom-5-nitrobenzotrifluoride WUYI TIANDA PREC CHEMICAL HIGH (CN) 2009-01-07 CN claimed
CN-101274914-A Asymmetric aromatic diamine having naphthalenone binaphthyl structure, preparation and use thereof UNIV DONGHUA (CN) 2008-10-01 CN claimed
CN-101270059-A Unsymmetrical fragrant diamine containing fluorine, preparation and application in synthesizing polyimide thereof UNIV DONGHUA (CN) 2008-09-24 CN claimed
CN-101153074-A Aromatic polyamide containing fluorine and diamine monomer containing fluorine based on naphthyridine ketone structure and method of producing the same UNIV HUAQIAO (CN) 2008-04-02 CN claimed