SCHEMBL4210036

SCHEMBL4210036

NCc1cccc2cc(S(=O)(=O)O)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 4/20 0.51
ALDH1A1 P00352 6/20 0.49
CYP2C9 P11712 5/20 0.49
CYP2C19 P33261 4/20 0.49
HSD17B10 Q99714 4/20 0.49
CYP1A2 P05177 5/20 0.44
TSHR P16473 2/20 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
TDP1 Q9NUW8 2/20 0.43
RHOA P61586 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
NSD2 O96028 2/20 0.43
DUSP3 P51452 2/20 0.43
PTPN5 P54829 2/20 0.43
PTPN11 Q06124 2/20 0.43
NT5E P21589 2/20 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
SCHEMBL3432703 0.87 CASP6 (0.54) CASP6ALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL28893443 0.85 CASP6 (0.52) CASP6ALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL8415343 0.83 ALDH1A1 (0.51) CASP6ALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL3080680 0.81 HTR6 (0.49) ALDH1A1POLBMAPT
SCHEMBL7790482 0.79 CASP6 (0.50) CASP6ALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL157169 0.78 ALDH1A1 (0.62) CASP6ALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL29941351 0.78 ALDH1A1 (0.62) CASP6ALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL29518641 0.78 ALDH1A1 (0.62) CASP6ALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL3086452 0.78 HTR6 (0.45)
SCHEMBL31255683 0.78 CASP6 (0.58) CASP6ALDH1A1CYP2C9CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113358791-B Detection method of prostaglandins in biological sample 北京现代药物代谢研究院 2022-09-30 CN claimed
CN-113358791-A Detection method of prostaglandins in biological sample 中荣凯特(北京)生物科技有限公司 2021-09-07 CN claimed
EP-0268088-B1 1-AMINOMETHYLNAPHTHALENE-6-SULFONIC ACID, ITS PREPARATION AND ITS USE BAYER AG (DE) 1990-05-23 EP claimed
US-4874892-A Process for the preparation of 6-hydroxynaphthalene-1-carboxylic from 1-aminomethylnaphthalene-6-sulphonic acid BAYER AKTIENGESELLSCHAFT (DE) 1989-10-17 US claimed
US-4795596-A 1-Aminomethylnaphthalene-6-sulphonic acid, its preparation and its use BAYER AKTIENGESELLSCHAFT (DE) 1989-01-03 US claimed
EP-0268088-A1 1-Aminomethylnaphthalene-6-sulfonic acid, its preparation and its use BAYER AG (DE) 1988-05-25 EP claimed
CN-113358791-B Detection method of prostaglandins in biological sample 北京现代药物代谢研究院 2022-09-30 CN disclosed
CN-113358791-A Detection method of prostaglandins in biological sample 中荣凯特(北京)生物科技有限公司 2021-09-07 CN disclosed
US-20090011946-A1 Use of Sequence Specific Polymers in Chemical Detection KALINEX (US) 2009-01-08 US disclosed
EP-1839059-A1 USE OF SEQUENCE SPECIFIC POLYMERS IN CHEMICAL DETECTION Kalinex (US) 2007-10-03 EP disclosed
WO-2006069263-A1 USE OF SEQUENCE SPECIFIC POLYMERS IN CHEMICAL DETECTION KALINEX (US) 2006-06-29 WO disclosed
US-20050003558-A1 Biological sample component purification and differential display CHIRON CORPORATION (US) 2005-01-06 US disclosed
US-6783929-B1 COMPRISES POLYAMIDE LIGANDS FOR ENHANCED EFFICIENCY OF PROTEOMICS CHIRON CORPORATION 2004-08-31 US disclosed
US-4874892-A Process for the preparation of 6-hydroxynaphthalene-1-carboxylic from 1-aminomethylnaphthalene-6-sulphonic acid BAYER AKTIENGESELLSCHAFT (DE) 1989-10-17 US disclosed
US-4795596-A 1-Aminomethylnaphthalene-6-sulphonic acid, its preparation and its use BAYER AKTIENGESELLSCHAFT (DE) 1989-01-03 US disclosed
US-4795596-A 1-Aminomethylnaphthalene-6-sulphonic acid, its preparation and its use BAYER AKTIENGESELLSCHAFT (DE) 1989-01-03 US disclosed
US-4795596-A 1-Aminomethylnaphthalene-6-sulphonic acid, its preparation and its use BAYER AKTIENGESELLSCHAFT (DE) 1989-01-03 US disclosed
EP-0268088-A1 1-Aminomethylnaphthalene-6-sulfonic acid, its preparation and its use BAYER AG (DE) 1988-05-25 EP disclosed
EP-0268088-A1 1-Aminomethylnaphthalene-6-sulfonic acid, its preparation and its use BAYER AG (DE) 1988-05-25 EP disclosed
EP-0268088-A1 1-Aminomethylnaphthalene-6-sulfonic acid, its preparation and its use BAYER AG (DE) 1988-05-25 EP disclosed