SCHEMBL9639229

SCHEMBL9639229

O=[N+]([O-])c1ccc(NBr)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
MAPK1 P28482 5/20 0.57
TXNRD1 Q16881 1/20 0.56
TXNRD3 Q86VQ6 1/20 0.56
TXNRD2 Q9NNW7 1/20 0.56
TDP1 Q9NUW8 4/20 0.55
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GPR35 Q9HC97 2/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
HIF1A Q16665 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
POLB P06746 1/20 0.50

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
SCHEMBL31715811 0.84 MAPT (0.73) MAPTMEN1KMT2AMAPK1TXNRD1
SCHEMBL4631056 0.81 MAPT (0.54) MAPTMEN1KMT2AMAPK1TXNRD1
SCHEMBL29352891 0.81 MAPT (0.61) MAPTMEN1KMT2AMAPK1TXNRD1
SCHEMBL29465849 0.81 MAPK1 (0.58) MAPTMEN1KMT2AMAPK1TXNRD1
SCHEMBL9640311 0.81 MAPT (0.57) MAPTMEN1KMT2AMAPK1TXNRD1
SCHEMBL16140 0.81 MAPT (0.61) MAPTMEN1KMT2AMAPK1TXNRD1
SCHEMBL3132093 0.81 MAPK1 (0.58) MAPTMEN1KMT2AMAPK1TXNRD1
SCHEMBL365880 0.81 MAPT (0.60) MAPTMEN1KMT2AMAPK1TXNRD1
SCHEMBL8065650 0.81 ALDH1A1 (0.58) MAPTMEN1KMT2AMAPK1TXNRD1
SCHEMBL27470180 0.81 MAPT (0.61) MAPTMEN1KMT2AMAPK1TXNRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113549340-A Coupling process of coupling component containing diester structure 杭州吉华江东化工有限公司 2021-10-26 CN claimed
CN-103664683-B A kind of continuous diazotising production technology of aromatic amine 浙江龙盛集团股份有限公司 2018-05-11 CN claimed
CN-104725897-B A kind of ecological, environmental protective processing method of dyestuff or dyestuff intermediate 浙江龙盛集团股份有限公司 2017-08-25 CN claimed
CN-103937286-A Clean production method of disperse dye ZHEJIANG DIBANG CHEMICAL CO LTD 2014-07-23 CN claimed
CN-113549340-A Coupling process of coupling component containing diester structure 杭州吉华江东化工有限公司 2021-10-26 CN disclosed
CN-109232274-B A kind of bromination new process of 2,4- dinitroaniline 浙江汇翔化学工业有限公司 2019-12-03 CN disclosed
CN-209113788-U Protective device is used in a kind of experiment of 2,4- dinitroaniline bromination 浙江汇翔化学工业有限公司 2019-07-16 CN disclosed
CN-105683295-B Disperse dyes and its preparation method and application 德司达染料分销有限公司 2019-06-18 CN disclosed
CN-109232274-A A kind of bromination new process of 2,4- dinitroaniline 浙江汇翔化学工业有限公司 2019-01-18 CN disclosed
CN-105176133-B A kind of cross-linking reactive disperse dyes compound and its preparation and application 东华大学 2017-12-22 CN disclosed
CN-105086509-B A kind of cross-linking reactive disperse dyes compound and its preparation and application 东华大学 2017-10-03 CN disclosed
CN-105254151-B A kind of decrement dehalogenation technique of residual active sludge 浙江清华长三角研究院 2017-09-26 CN disclosed
CN-103937286-A Clean production method of disperse dye ZHEJIANG DIBANG CHEMICAL CO LTD 2014-07-23 CN disclosed
CN-1131285-C Disperse dye mixtures BASF AG (DE) 2003-12-17 CN disclosed
CN-1307618-A Disperse dye mixtures BASF AG (DE) 2001-08-08 CN disclosed
US-5162511-A Nitrosating and diazotizing reagents and reactions GAMBLIN RODGER L (US) 1992-11-10 US disclosed
US-5136098-A Nitrosating and diazotizing reagents and reactions GAMBLIN RODGER L (US) 1992-08-04 US disclosed
EP-0387642-A2 Mixture of dyes CASSELLA Aktiengesellschaft (DE) 1990-09-19 EP disclosed
US-4440681-A Water-insoluble monoazo dyestuffs and their preparation CASSELLA AKTIENGESELLSCHAFT (DE) 1984-04-03 US disclosed