Fasudil

Fasudil

SCHEMBL6269832

O=S(=O)(c1cccc2cnccc12)N1CCCNCC1.O=S(=O)(c1cccc2cnccc12)N1CCCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ROCK1ROCK2

The experimentally established mechanism targets of Fasudil. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 known ✓ O75116 8/20 1.00
ROCK1 known ✓ Q13464 8/20 1.00
PRKCE Q02156 6/20 1.00
PRKCD Q05655 6/20 1.00
PRKD1 Q15139 6/20 1.00
CYP3A4 P08684 6/20 1.00
PRKD3 O94806 5/20 1.00
PRKCG P05129 5/20 1.00
PRKCB P05771 5/20 1.00
PRKCA P17252 5/20 1.00
PRKCH P24723 5/20 1.00
PRKCI P41743 5/20 1.00
PRKCQ Q04759 5/20 1.00
PRKCZ Q05513 5/20 1.00
CYP2D6 P10635 5/20 1.00
PRKACA P17612 4/20 1.00
PRKACG P22612 4/20 1.00
PRKACB P22694 4/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00

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
Fasudil SCHEMBL29381868 1.00 ROCK2 (1.00) ROCK2ROCK1PRKCEPRKCDPRKD1
Fasudil SCHEMBL4674 1.00 ROCK2 (1.00) ROCK2ROCK1PRKCEPRKCDPRKD1
Fasudil SCHEMBL29362990 1.00 ROCK2 (1.00) ROCK2ROCK1PRKCEPRKCDPRKD1
Fasudil SCHEMBL599053 0.99 ROCK2 (1.00) ROCK2ROCK1PRKCEPRKCDPRKD1
Fasudil SCHEMBL6032335 0.99 ROCK2 (1.00) ROCK2ROCK1PRKCEPRKCDPRKD1
Fasudil SCHEMBL678615 0.99 ROCK2 (0.98) ROCK2ROCK1PRKCEPRKCDPRKD1
Fasudil SCHEMBL30084458 0.99 ROCK2 (1.00) ROCK2ROCK1PRKCEPRKCDPRKD1
Fasudil SCHEMBL29393852 0.99 ROCK2 (1.00) ROCK2ROCK1PRKCEPRKCDPRKD1
Fasudil SCHEMBL317082 0.99 ROCK2 (1.00) ROCK2ROCK1PRKCEPRKCDPRKD1
Fasudil SCHEMBL29351490 0.99 ROCK2 (1.00) ROCK2ROCK1PRKCEPRKCDPRKD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005117896-A1 FORMULATIONS CONTAINING FASUDIL, A MATRIX AND AN ENVELOPE SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-15 WO claimed
CN-113842473-A Bimodal nanoprobe for trabecular cell labeling and preparation method and application thereof 青岛大学 2021-12-28 CN disclosed
EP-3675838-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS Puretecch LYT, Inc. (US) 2020-07-08 EP disclosed
WO-2019046491-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS ARIYA THERAPEUTICS, INC. (US) 2019-03-07 WO disclosed
WO-2005117896-A1 FORMULATIONS CONTAINING FASUDIL, A MATRIX AND AN ENVELOPE SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-15 WO disclosed