SCHEMBL944371

SCHEMBL944371

O=[N+]([O-])c1ccccc1-c1ccccc1S

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
TDP1 Q9NUW8 3/20 0.59
S100A4 P26447 2/20 0.52
PTPRC P08575 1/20 0.52
PTPN1 P18031 1/20 0.51
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
STAT6 P42226 1/20 0.48
HIF1A Q16665 1/20 0.48
PHLPP2 Q6ZVD8 1/20 0.48
MAOB P27338 1/20 0.46
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45

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
SCHEMBL30798624 1.00 ALDH1A1 (0.59) ALDH1A1TDP1S100A4PTPRCPTPN1
SCHEMBL1287837 0.87 ALDH1A1 (0.74) ALDH1A1TDP1S100A4PTPRCPTPN1
SCHEMBL30535903 0.87 ALDH1A1 (0.74) ALDH1A1TDP1S100A4PTPRCPTPN1
SCHEMBL8128597 0.85 S100A4 (0.50) ALDH1A1TDP1S100A4PTPRCPTPN1
Ammonia Solution, Strong SCHEMBL9060371 0.84 ALDH1A1 (0.71) ALDH1A1TDP1S100A4PTPRCPTPN1
SCHEMBL29337140 0.84 ALDH1A1 (0.71) ALDH1A1TDP1S100A4PTPRCPTPN1
SCHEMBL30987815 0.84 ALDH1A1 (0.71) ALDH1A1TDP1S100A4PTPRCPTPN1
SCHEMBL5476351 0.82 HSD17B10 (0.54) ALDH1A1TDP1S100A4PTPRCPTPN1
SCHEMBL28593 0.82 HSD17B10 (0.54) ALDH1A1TDP1S100A4PTPRCPTPN1
SCHEMBL10452983 0.82 PTPRC (0.56) ALDH1A1TDP1S100A4PTPRCHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110286112-A A kind of Raman microprobe and its preparation method and application 上海交通大学 2019-09-27 CN claimed
CN-110003717-A A kind of steganography material and steganography method based on surface-enhanced Raman nano particle 上海交通大学 2019-07-12 CN claimed
CN-105348220-B A kind of synthetic method of hydrobromic acid Vortioxetine 山东川成医药股份有限公司 2017-08-25 CN claimed
CN-105348220-A Synthetic method for vortioxetine hydrobromide SHANDONG CHUANCHENG PHARMACEUTICAL CO LTD 2016-02-24 CN claimed
CN-101723864-A Method for preparing p-tert-butyl o-nitrothiophenol BEIJING CHARNA CHEMICALS & PHA 2010-06-09 CN claimed
CN-101318920-A Method for preparing para orientation o-aminophenyl-thioether via midbody para orientation o-nitrobenzene-sulfhydrate BEIJING CHARNA CHEMICALS LTD (CN) 2008-12-10 CN claimed
EP-0256486-B1 A METHOD OF PRODUCING ALKALI METAL BENZENESULFINATES SEITETSU KAGAKU CO. LTD. (JP) 1990-12-05 EP claimed
US-4849138-A Method of producing alkali metal benzenesulfinates SEITETSU KAGAKU CO., LTD. (JP) 1989-07-18 US claimed
EP-0256486-A1 A method of producing alkali metal benzenesulfinates SEITETSU KAGAKU CO. LTD. (JP) 1988-02-24 EP claimed
JP-1040457-A None JP disclosed
JP-63048260-A None JP disclosed
CN-118320835-A Catalyst, preparation method thereof and method for preparing arylamine compound 厦门大学 2024-07-12 CN disclosed
EP-3631009-B1 IMMOBILISATION OF NUCLEIC ACIDS ON SURFACES CNM TECH GMBH (DE) 2021-11-10 EP disclosed
CN-113512048-A Organic compound and organic light-emitting device using same 浙江华显光电科技有限公司 2021-10-19 CN disclosed
US-4849138-A Method of producing alkali metal benzenesulfinates SEITETSU KAGAKU CO., LTD. (JP) 1989-07-18 US disclosed
US-4849138-A Method of producing alkali metal benzenesulfinates SEITETSU KAGAKU CO., LTD. (JP) 1989-07-18 US disclosed
JP-S6440457-A PRODUCTION OF NITROPHENYLPHENYLSULFONES SEITETSU KAGAKU CO LTD 1989-02-10 JP disclosed
JP-S6348260-A PRODUCTION OF ALKALI METALLIC SALT OF BENZENESULFINIC ACID SEITETSU KAGAKU CO LTD 1988-02-29 JP disclosed
EP-0256486-A1 A method of producing alkali metal benzenesulfinates SEITETSU KAGAKU CO. LTD. (JP) 1988-02-24 EP disclosed
EP-0256486-A1 A method of producing alkali metal benzenesulfinates SEITETSU KAGAKU CO. LTD. (JP) 1988-02-24 EP disclosed