SCHEMBL6600583

SCHEMBL6600583

CC(C)(NC(=O)O)C(Cc1cccc(/N=C(\N)c2cccs2)c1)C1CCN(C(=O)CCCCC2CCSS2)CC1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.52
NOS2 P35228 1/20 0.39
QRFPR Q96P65 1/20 0.38

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
SCHEMBL5386548 0.83 NOS1 (0.60) NOS1NOS2QRFPR
SCHEMBL5386545 0.83 NOS1 (0.60) NOS1NOS2QRFPR
SCHEMBL6599685 0.82 NOS1 (0.55) NOS1NOS2QRFPR
SCHEMBL6599689 0.82 NOS1 (0.55) NOS1NOS2QRFPR
SCHEMBL5394561 0.82 NOS1 (0.60) NOS1NOS2QRFPR
SCHEMBL5394565 0.82 NOS1 (0.60) NOS1NOS2QRFPR
SCHEMBL6600588 0.82 NOS1 (0.51) NOS1NOS2QRFPR
Hydrochloric Acid SCHEMBL5385429 0.81 NOS1 (0.59) NOS1NOS2QRFPR
Hydrochloric Acid SCHEMBL5385425 0.81 NOS1 (0.59) NOS1NOS2QRFPR
SCHEMBL5382789 0.80 NOS1 (0.50) NOS1NOS2QRFPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265891-B1 NOVEL LIPOIC ACID HETEROCYCLIC OR BENZENE DERIVATIVES, PREPARATION AND USE THEREOF AS MEDICINES CONSEILS DE RECH SET D APPLIC (FR) 2004-12-29 EP claimed