SCHEMBL9734100

SCHEMBL9734100

O=[N+]([O-])c1cccc2cc(S(=O)(=O)O)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
TDP1 Q9NUW8 3/20 0.55
HPGD P15428 2/20 0.55
CASP6 P55212 4/20 0.55
NSD2 O96028 1/20 0.47
GAA P10253 1/20 0.47
PLCG1 P19174 1/20 0.47
DNMT1 P26358 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 2/20 0.46
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP1A2 P05177 3/20 0.44
HIF1A Q16665 2/20 0.44
PTPRA P18433 1/20 0.44
PTPRB P23467 1/20 0.44
RAPGEF4 Q8WZA2 1/20 0.44
PTPN11 Q06124 2/20 0.43
PTPN1 P18031 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
SCHEMBL28470101 0.98 ALDH1A1 (0.54) ALDH1A1TDP1HPGDCASP6NSD2
SCHEMBL9838979 0.87 ALDH1A1 (0.56) ALDH1A1TDP1HPGDCASP6NSD2
SCHEMBL28467530 0.86 ALDH1A1 (0.54) ALDH1A1TDP1HPGDCASP6NSD2
SCHEMBL11395715 0.85 TDP1 (0.60) ALDH1A1TDP1HPGDCASP6NSD2
SCHEMBL27988464 0.85 ALDH1A1 (0.64) ALDH1A1TDP1HPGDCASP6NSD2
SCHEMBL28472152 0.84 ALDH1A1 (0.56) ALDH1A1TDP1CASP6GAATSHR
SCHEMBL8973579 0.84 ALDH1A1 (0.56) ALDH1A1TDP1CASP6GAATSHR
SCHEMBL14058836 0.84 CA2 (0.58) ALDH1A1TDP1TSHRCA12CA1
SCHEMBL11515288 0.80 CASP6 (0.48) ALDH1A1TDP1HPGDCASP6NSD2
SCHEMBL28865922 0.80 ALDH1A1 (0.62) ALDH1A1TDP1HPGDCASP6NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116143664-A Preparation method for clean production of clevuc acid 河北嘉泰化工科技有限公司 2023-05-23 CN claimed
CN-107602422-B Preparation method of cleaning type product 1,6, 1,7 mixed clevuric acid 吴江梅堰三友染料化工有限公司 2020-05-29 CN claimed
CN-107602422-A A kind of clean type product 1,6,1,7 mixes the preparation method of 1-naphthlamine-6-sulfonic acid 吴江梅堰三友染料化工有限公司 2018-01-19 CN claimed
CN-1184198-C Method for preparing amino-aryl sulfonic acid RATEGESERBERG CHEMICAL GMBH (DE) 2005-01-12 CN claimed
CN-1260346-A Method for preparing amino-aryl sulfonic acid BAYER AG (DE) 2000-07-19 CN claimed
CN-1203886-A Method for producing hydrogen sulfide TANG PEISI (CN) 1999-01-06 CN claimed
US-5086128-A HIGH MOLECULAR WEIGHT ARYLENE SULPHIDE POLYMER MELT MIXED WITH AROMATIC NITRO COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1992-02-04 US claimed
JP-2020525-A None JP disclosed
CN-116143664-A Preparation method for clean production of clevuc acid 河北嘉泰化工科技有限公司 2023-05-23 CN disclosed
CN-111848459-A Clean and efficient preparation method of 1,6 and 1, 7-clevuric acid 中国天辰工程有限公司 2020-10-30 CN disclosed
CN-107602422-B Preparation method of cleaning type product 1,6, 1,7 mixed clevuric acid 吴江梅堰三友染料化工有限公司 2020-05-29 CN disclosed
CN-107602422-B Preparation method of cleaning type product 1,6, 1,7 mixed clevuric acid 吴江梅堰三友染料化工有限公司 2020-05-29 CN disclosed
CN-107973729-A A kind of preparation method of 4- nitros -2,7- naphthalenedisulfonic acid 杨玥 2018-05-01 CN disclosed
US-4000130-A INDOLE DYES, POLYACRYLONITRILE BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US disclosed
US-3992405-A ESPECIALLY FOR DYEING POLYACRYLIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-16 US disclosed
US-3991042-A Basic azo dyestuffs containing a benzthiazole and a tetrahydroquinoline nucleus BAYER AKTIENGESELLSCHAFT (DT) 1976-11-09 US disclosed
US-3971807-A BENZINDOLE BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed
US-3959310-A BENZINDOLE BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 US disclosed
US-3956264-A Basic azo dyestuffs having indolyl-methyleneamino substituent in the diazo component BAYER AKTIENGESELLSCHAFT (DT) 1976-05-11 US disclosed
US-3948877-A POLYACRYLONITRILE, ACID MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US disclosed