SCHEMBL28569616

SCHEMBL28569616

NC(Cc1c(S(=O)(=O)O)[nH]c2ccccc12)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
MPO P05164 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50
EGFR P00533 4/20 0.46
SRC P12931 2/20 0.46
SCN9A Q15858 1/20 0.46
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL31161279 1.00 KDM4E (0.50) KDM4EMAPTMEN1LMNAMPO
SCHEMBL28569615 1.00 KDM4E (0.50) KDM4EMAPTMEN1LMNAMPO
SCHEMBL30678518 1.00 KDM4E (0.50) KDM4EMAPTMEN1LMNAMPO
SCHEMBL18642000 0.88 MAPT (0.49) KDM4EMAPTMEN1LMNAMPO
SCHEMBL29415605 0.80 KDM4E (0.55) KDM4EMAPTMEN1LMNAMPO
SCHEMBL6295317 0.80 KDM4E (0.55) KDM4EMAPTMEN1LMNAMPO
SCHEMBL497627 0.80 KDM4E (0.55) KDM4EMAPTMEN1LMNAMPO
SCHEMBL2263891 0.80 KDM4E (0.55) KDM4EMAPTMEN1LMNAMPO
SCHEMBL7694812 0.80 KDM4E (0.55) KDM4EMAPTMEN1LMNAMPO
SCHEMBL471925 0.80 KDM4E (0.55) KDM4EMAPTMEN1LMNAMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112697930-B Method for detecting related substance 2-sulfotryptophan in compound amino acid injection 北京市药品检验研究院(北京市疫苗检验中心) 2024-12-06 CN claimed
CN-119023870-A Universal quantitative detection method for sulfured traditional Chinese medicinal materials 中国中医科学院中药研究所 2024-11-26 CN claimed
CN-117250284-A Marker for rapidly identifying multiple sulfured traditional Chinese medicinal materials and method thereof 中国中医科学院中药研究所 2023-12-19 CN claimed
CN-112697930-A Method for detecting related substance 2-sulfotryptophan in compound amino acid injection 北京市药品检验所 2021-04-23 CN claimed
CN-117250284-B Marker for rapidly identifying multiple sulfured traditional Chinese medicinal materials and method thereof 中国中医科学院中药研究所 2026-02-24 CN disclosed
CN-112697930-B Method for detecting related substance 2-sulfotryptophan in compound amino acid injection 北京市药品检验研究院(北京市疫苗检验中心) 2024-12-06 CN disclosed
CN-112697930-B Method for detecting related substance 2-sulfotryptophan in compound amino acid injection 北京市药品检验研究院(北京市疫苗检验中心) 2024-12-06 CN disclosed
CN-112697930-B Method for detecting related substance 2-sulfotryptophan in compound amino acid injection 北京市药品检验研究院(北京市疫苗检验中心) 2024-12-06 CN disclosed
CN-119064496-A Application of compound RA-XI in identification or auxiliary identification of madder category or authenticity and identification method 甘肃省药品检验研究院 2024-12-03 CN disclosed
CN-119023870-A Universal quantitative detection method for sulfured traditional Chinese medicinal materials 中国中医科学院中药研究所 2024-11-26 CN disclosed
CN-119023870-A Universal quantitative detection method for sulfured traditional Chinese medicinal materials 中国中医科学院中药研究所 2024-11-26 CN disclosed
CN-117250284-A Marker for rapidly identifying multiple sulfured traditional Chinese medicinal materials and method thereof 中国中医科学院中药研究所 2023-12-19 CN disclosed
CN-117250284-A Marker for rapidly identifying multiple sulfured traditional Chinese medicinal materials and method thereof 中国中医科学院中药研究所 2023-12-19 CN disclosed
CN-112697930-A Method for detecting related substance 2-sulfotryptophan in compound amino acid injection 北京市药品检验所 2021-04-23 CN disclosed
CN-112697930-A Method for detecting related substance 2-sulfotryptophan in compound amino acid injection 北京市药品检验所 2021-04-23 CN disclosed
CN-112697930-A Method for detecting related substance 2-sulfotryptophan in compound amino acid injection 北京市药品检验所 2021-04-23 CN disclosed