SCHEMBL3889092

SCHEMBL3889092

O=[N+]([O-])COc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.46
ALOX15 P16050 1/20 0.45
MAPT P10636 5/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 3/20 0.41
RECQL P46063 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
PTGES O14684 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.39

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
Anisole SCHEMBL28098758 0.90 CA4 (0.52) MAPTNPC1RAB9ASMN1; SMN2DRD2
SCHEMBL7465418 0.88 HDAC1 (0.46) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9504158 0.84 MAPT (0.44) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7465350 0.83 ALOX5 (0.48) TLR4TLR2
SCHEMBL27480935 0.83 DRD2 (0.51) MAPTNPC1RAB9ASMN1; SMN2DRD2
2-Nitroanisole SCHEMBL27660565 0.80 ALDH1A1 (0.68) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27820910 0.79 ALDH1A1 (0.63) MAPTSMN1; SMN2DRD2DRD4DRD3
SCHEMBL3110577 0.79 NPC1 (0.50) MAPTNPC1RAB9ASMN1; SMN2CYP2C9
SCHEMBL3183985 0.78 TDP1 (0.48) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8329926 0.78 SMN1; SMN2 (0.50) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104610107-B The preparation method of a kind of 4-trifluoromethylthio oil of mirbane 江苏凌云药业有限公司 2016-06-15 CN claimed
CN-105566121-A Method for reducing generation of nitrophenol in preparation process of nitroanisole CHINA PETROLEUM & CHEM CORP 2016-05-11 CN claimed
CN-105399634-A Clean production method of paranitroanisole ZHEJIANG RUNTU INST CO LTD 2016-03-16 CN claimed
CN-105294456-A Method for preparing p-anisidine by catalytic hydrogenation with industrial scale device NINGXIA MINGSHENG DYES & CHEMICAL CO LTD 2016-02-03 CN claimed
CN-105272863-A Preparation method for p-anisidine NINGXIA MINGSHENG DYEING AND CHEMICAL CO LTD 2016-01-27 CN claimed
CN-104844461-A Synthetic process for amino aromatic hydrocarbon compound ANHUI SHENGYUAN CHEMICAL CO LTD 2015-08-19 CN claimed
CN-104610107-A Preparation method of 4-(trifluoromethylthio)nitrobenzene JIANGSU LINGYUN PHARMACEUTICAL CO LTD 2015-05-13 CN claimed
CN-101823972-B Process for cleanly producing o (p) - aminoanisole (phenetidine) by coupling simulated moving bed JIANGSU LITIAN TECHNOLOGY CO LTD 2015-03-25 CN claimed
CN-102260132-B Demethylating reagent, method for removing methyl and method for preparing luciferin by use of demethylating reagent HUNAN BRI NEW SPECIAL MEDICINE CO LTD 2014-03-05 CN claimed
CN-103124717-A Method for the selective production of N-methyl-para-anisidine ZAKRITOYE AKTSIONERNOE OBSHESTVO IFOHIM 2013-05-29 CN claimed
CN-100494159-C Process of producing nitrobenzether aminobenzether amidobenzether from chlorobenzene JIASEN CHEMICAL INDUSTRY CO LT (CN) 2009-06-03 CN claimed
CN-101314571-A Method for catalytic synthesis of p-nitroanisole UNIV JIANGSU POLYTECHNIC (CN) 2008-12-03 CN claimed
CN-101307000-A Process for preparing aminoanisol and aniline by using mixture of nitroanisole and nitro chlorobenzene as raw materials CHANGZHOU JIASEN CHEMICAL CO L (CN) 2008-11-19 CN claimed
CN-101187032-A P-aminoanisole electrochemical synthesis method UNIV EAST CHINA NORMAL (CN) 2008-05-28 CN claimed
CN-101134714-A Method for extraction separation of dichloropropanol from dichloropropanol hydrochloric water solution JIANGSU YANGNONG CHEMICAL GROU (CN) 2008-03-05 CN claimed
CN-100368377-C Tech. of producing ortho nitro methyl-phenoxide para nitro methyl-phenoxide and meta nitro chlorobenzene from chlorobenzene JIASEN CHEMICAL INDUSTRY CO LT (CN) 2008-02-13 CN claimed
CN-100338021-C Crystallizing separating tech. of nitro methyl-phenoxide mixture JIASEN CHEMICAL INDUSTRY CO LT (CN) 2007-09-19 CN claimed
CN-1861562-A Process of producing nitrobenzether aminobenzether amidobenzether from chlorobenzene JIASEN CHEMICAL INDUSTRY CO LT (CN) 2006-11-15 CN claimed
CN-1861566-A Crystallizing separating tech. of nitro methyl-phenoxide mixture JIASEN CHEMICAL INDUSTRY CO LT (CN) 2006-11-15 CN claimed
CN-1861563-A Tech. of producing ortho nitro methyl-phenoxide para nitro methyl-phenoxide and meta nitro chlorobenzene from chlorobenzene JIASEN CHEMICAL INDUSTRY CO LT (CN) 2006-11-15 CN claimed