SCHEMBL7031491

SCHEMBL7031491

CC(C)Oc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
RAF1 P04049 1/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
GFER P55789 1/20 0.55
PAX8 Q06710 1/20 0.55
VCAM1 P19320 11/20 0.51
PDK1 Q15118 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL9652296 0.87 MAPT (0.56) MAPTALDH1A1LMNARAF1HPGD
SCHEMBL28120167 0.87 MAPK1 (0.53) MAPTALDH1A1LMNARAF1HPGD
SCHEMBL9940716 0.84 ALDH1A1 (0.51) MAPTALDH1A1LMNAMAPK1PDK1
SCHEMBL2080670 0.83 VCAM1 (0.51) MAPTALDH1A1LMNARAF1HPGD
SCHEMBL810615 0.82 MAPT (0.52) MAPTALDH1A1LMNARAF1HPGD
SCHEMBL1865349 0.82 MAPT (0.61) MAPTALDH1A1LMNARAF1HPGD
SCHEMBL11449140 0.82 ALPL (0.59) ALDH1A1HPGDVCAM1
SCHEMBL4237009 0.81 ALDH1A1 (0.51) MAPTALDH1A1LMNAHPGDMAPK1
SCHEMBL541479 0.81 ALDH1A1 (0.68) MAPTALDH1A1LMNARAF1HPGD
SCHEMBL29739485 0.80 ALDH1A1 (0.51) MAPTALDH1A1LMNAVCAM1PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109336775-A The synthetic method of one kind 2,4- dichloro-5-isopropoxy aniline 安徽省化工研究院 2019-02-15 CN claimed
CN-104447345-B The treatment process of Yi Zhong Evil humulone etherificate waste salt dregs recycling ANHUI KELIHUA CHEMICAL CO.,LTD. (CN) 2016-04-27 CN claimed
CN-104447345-A Treatment method for recycling oxadiazon etherifying salt waste ANHUI KELIHUA CHEMISTRY CO LTD 2015-03-25 CN claimed
CN-110204123-A Resource comprehensive utilization method for waste salt in fipronil production 南京工业大学 2019-09-06 CN disclosed
CN-109406609-A A kind of electrochemical method of on-line analysis nitro-reduction reaction 联化科技股份有限公司 2019-03-01 CN disclosed
CN-109336775-A The synthetic method of one kind 2,4- dichloro-5-isopropoxy aniline 安徽省化工研究院 2019-02-15 CN disclosed
CN-104447345-B The treatment process of Yi Zhong Evil humulone etherificate waste salt dregs recycling ANHUI KELIHUA CHEMICAL CO.,LTD. (CN) 2016-04-27 CN disclosed
CN-104447345-A Treatment method for recycling oxadiazon etherifying salt waste ANHUI KELIHUA CHEMISTRY CO LTD 2015-03-25 CN disclosed
CN-104326917-A Synthesis process of 2,4-dichloro-5-nitrophenyl isopropyl ether Hefei xingyu chemical co ltd 2015-02-04 CN disclosed
CN-102363597-A Preparation method of 2,4-dichloro-5-isopropoxy aniline salt LIANYUNGANG JINDUN AGROCHEMICAL CO LTD 2012-02-29 CN disclosed
EP-1031556-B1 2-PHENOXYANILINE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2003-01-22 EP disclosed
US-6162832-A 2-Phenoxyaniline derivatives TAISHO PHARMACEUTICAL CO., INC. (JP) 2000-12-19 US disclosed
EP-1031556-A1 2-PHENOXYANILINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2000-08-30 EP disclosed