SCHEMBL329994

SCHEMBL329994

O=S(=O)(O)c1nccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.52
PLAU P00749 2/20 0.47
F12 P00748 1/20 0.47
NCF1 P14598 1/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
BACE1 P56817 1/20 0.47
ALDH1A1 P00352 2/20 0.44
PLG P00747 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CFTR P13569 1/20 0.42
GOPC Q9HD26 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42

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
Hydrochloric Acid SCHEMBL9352434 0.98 CYP2A6 (0.50) CYP2A6PLAUF12NCF1NOS3
SCHEMBL29277533 0.84 CYP2A6 (0.55) CYP2A6PLAUF12NCF1NOS3
SCHEMBL329993 0.82 CYP2A6 (0.53) CYP2A6PLAUF12NCF1NOS3
SCHEMBL10401348 0.82 CYP2A6 (0.59) CYP2A6PLAUF12NCF1NOS3
SCHEMBL1052021 0.81 CYP2A6 (0.52) CYP2A6PLAUF12NCF1NOS3
SCHEMBL169719 0.81 PLAU (0.52) CYP2A6PLAUF12NCF1NOS3
SCHEMBL29482553 0.81 PLAU (0.52) CYP2A6PLAUF12NCF1NOS3
SCHEMBL5610261 0.81 CYP2A6 (0.52) CYP2A6PLAUF12NCF1NOS3
SCHEMBL29797287 0.81 CYP2A6 (0.52) CYP2A6PLAUF12NCF1NOS3
Hydrochloric Acid SCHEMBL7319620 0.79 CYP2A6 (0.50) CYP2A6PLAUF12NCF1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117907492-B High performance liquid chromatography method for simultaneously qualitatively and quantitatively detecting 5-isoquinoline sulfonic acid and six impurities thereof 山东新华制药股份有限公司 2024-05-24 CN claimed
CN-117907492-A High performance liquid chromatography method for simultaneously qualitatively and quantitatively detecting 5-isoquinoline sulfonic acid and six impurities thereof 山东新华制药股份有限公司 2024-04-19 CN claimed
CN-113358759-B Method for detecting related substances in fasudil hydrochloride starting material 昆药集团股份有限公司 2022-11-18 CN claimed
CN-113358759-A Method for detecting related substances in fasudil hydrochloride starting material 昆药集团股份有限公司 2021-09-07 CN claimed
US-5216150-A Muscle relaxant; enzyme inhibitor and platelet aggutination inhibitor Hidaka, Hiroyoshi (JP) 1993-06-01 US claimed
US-5081246-A Isoquinolino sulfonamino derivatives Hidaka, Hiroyoshi (JP) 1992-01-14 US claimed
JP-61293914-A None JP disclosed
CN-117907492-B High performance liquid chromatography method for simultaneously qualitatively and quantitatively detecting 5-isoquinoline sulfonic acid and six impurities thereof 山东新华制药股份有限公司 2024-05-24 CN disclosed
EP-4366733-A1 TETRAHYDROPYRAZOLOPYRIDINE-ANALOG LIGANDS OF NLRX1 AND USES THEREOF LANDOS BIOPHARMA, INC. (US) 2024-05-15 EP disclosed
CN-117907492-A High performance liquid chromatography method for simultaneously qualitatively and quantitatively detecting 5-isoquinoline sulfonic acid and six impurities thereof 山东新华制药股份有限公司 2024-04-19 CN disclosed
CN-117835980-A Tetrahydropyrazolopyridine analog ligand of NLRX1 and application thereof 朗多生物制药股份有限公司 2024-04-05 CN disclosed
EP-3927427-B1 LANTHIONINE C-LIKE PROTEIN 2 LIGANDS, CELLS PREPARED THEREWITH, AND THERAPIES USING SAME NIMMUNE BIOPHARMA INC (US) 2024-02-07 EP disclosed
US-20230357744-A1 ENGINEERED TRYPTOPHAN DECARBOXYLASES AND USES THEREOF FOR SYNTHESIZING TRYPTAMINE ANALOGS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-11-09 US disclosed
EP-0513691-A1 Anti-ulcer agent Hidaka, Hiroyoshi (JP) 1992-11-19 EP disclosed
EP-0471841-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1992-02-26 EP disclosed
US-5081246-A Isoquinolino sulfonamino derivatives Hidaka, Hiroyoshi (JP) 1992-01-14 US disclosed
EP-0287696-B1 ISOQUINOLINE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-01-02 EP disclosed
EP-0350403-A1 (Aza)naphthalenesultam derivatives, process for their preparation and drugs containing same RHONE-POULENC SANTE (FR) 1990-01-10 EP disclosed
EP-0287696-A1 Isoquinoline derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1988-10-26 EP disclosed
JP-S61293914-A ANTICANCER CONTAINING ISOQUINOLINE DERIVATIVE AS ACTIVE INGREDIENT HIDAKA HIROYOSHI 1986-12-24 JP disclosed