SCHEMBL28393089

SCHEMBL28393089

CCOS(=O)(=O)c1cccc2cnccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKD3 O94806 5/20 0.54
▸ PRKCG P05129 5/20 0.54
▸ PRKCB P05771 5/20 0.54
▸ PRKCA P17252 5/20 0.54
▸ PRKCH P24723 5/20 0.54
▸ PRKCI P41743 5/20 0.54
▸ PRKCE Q02156 5/20 0.54
▸ PRKCQ Q04759 5/20 0.54
▸ PRKCZ Q05513 5/20 0.54
▸ PRKCD Q05655 5/20 0.54
▸ PRKD1 Q15139 5/20 0.54
▸ CYP3A4 P08684 5/20 0.54
▸ CYP2D6 P10635 4/20 0.54
▸ NFKB1 P19838 3/20 0.54
▸ GLA P06280 1/20 0.54
▸ LMNA P02545 3/20 0.53
▸ PMP22 Q01453 1/20 0.53
▸ PRKACA P17612 3/20 0.52
▸ PRKACG P22612 3/20 0.52
▸ PRKACB P22694 3/20 0.52

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
SCHEMBL28591143 0.93 PRKD3 (0.49) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL28394910 0.88 PRKD3 (0.42) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL28602915 0.84 ROCK2 (0.50) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL28399717 0.83 PRKD3 (0.55) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL8828469 0.83 PRKD3 (0.61) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL28910349 0.82 CYP17A1 (0.41) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL2199067 0.81 CA1 (0.52) CYP3A4LMNAMEN1KMT2ACYP1A2
SCHEMBL8332473 0.80 CA1 (0.50) CYP3A4LMNAMEN1KMT2ACYP1A2
SCHEMBL2761905 0.80 CA1 (0.50) CYP3A4LMNAMEN1KMT2ACYP1A2
SCHEMBL13677595 0.78 CYP3A4 (0.58) PRKD3PRKCGPRKCBPRKCAPRKCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110031557-B Method for detecting 5-isoquinoline methyl sulfonate and 5-isoquinoline ethyl sulfonate in fasudil hydrochloride 山东省食品药品检验研究院 2021-06-29 — — CN claimed
CN-112986409-A Method for detecting isoquinoline sulfonate genotoxic impurities in fasudil 南京亿华药业有限公司 2021-06-18 — — CN claimed
CN-112684038-A Method for detecting 5-isoquinoline ethyl sulfonate in fasudil hydrochloride 河南省科学院高新技术研究中心 2021-04-20 — — CN claimed
CN-109374811-B Method for detecting 5-isoquinoline ethyl sulfonate in fasudil hydrochloride 昆药集团股份有限公司 2020-11-03 — — CN claimed
CN-111624276-A Method for simultaneously detecting genotoxic impurities 5-isoquinoline methyl sulfonate and 5-isoquinoline ethyl sulfonate in fasudil hydrochloride 北京阳光诺和药物研究股份有限公司 2020-09-04 — — CN claimed
CN-111153856-A Preparation method of fasudil hydrochloride impurity with genotoxicity 湖南增达生物科技有限公司 2020-05-15 — — CN claimed
CN-112684038-B Method for detecting 5-isoquinoline ethyl sulfonate in fasudil hydrochloride 河南省科学院高新技术研究中心 2022-03-22 — — CN disclosed
CN-110031557-B Method for detecting 5-isoquinoline methyl sulfonate and 5-isoquinoline ethyl sulfonate in fasudil hydrochloride 山东省食品药品检验研究院 2021-06-29 — — CN disclosed
CN-110441449-B Method for detecting related substances in fasudil hydrochloride raw material or injection 昆药集团股份有限公司 2021-06-29 — — CN disclosed
CN-112986409-A Method for detecting isoquinoline sulfonate genotoxic impurities in fasudil 南京亿华药业有限公司 2021-06-18 — — CN disclosed
CN-112684038-A Method for detecting 5-isoquinoline ethyl sulfonate in fasudil hydrochloride 河南省科学院高新技术研究中心 2021-04-20 — — CN disclosed
CN-111624276-B Method for simultaneously detecting genotoxic impurities 5-isoquinoline methyl sulfonate and 5-isoquinoline ethyl sulfonate in fasudil hydrochloride 北京阳光诺和药物研究股份有限公司 2021-04-09 — — CN disclosed
CN-109374811-B Method for detecting 5-isoquinoline ethyl sulfonate in fasudil hydrochloride 昆药集团股份有限公司 2020-11-03 — — CN disclosed
CN-111624276-A Method for simultaneously detecting genotoxic impurities 5-isoquinoline methyl sulfonate and 5-isoquinoline ethyl sulfonate in fasudil hydrochloride 北京阳光诺和药物研究股份有限公司 2020-09-04 — — CN disclosed
CN-111153856-A Preparation method of fasudil hydrochloride impurity with genotoxicity 湖南增达生物科技有限公司 2020-05-15 — — CN disclosed
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