SCHEMBL3893609

SCHEMBL3893609

C[C@@H](C=O)N(N)C(=O)[C@@H](N)CCCN(C(=O)O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL3893611 1.00 NOS3 (0.32) NOS3NOS1NOS2
SCHEMBL6670962 0.75 GABRP (0.41) NOS3NOS1NOS2
SCHEMBL2495115 0.75 NOS2 (0.36) NOS3NOS1NOS2
SCHEMBL3889575 0.73 KMT2A (0.41)
SCHEMBL3889588 0.73 KMT2A (0.41)
SCHEMBL1257531 0.69 NOS2 (0.35) NOS3NOS1NOS2
SCHEMBL1257530 0.69 NOS2 (0.35) NOS3NOS1NOS2
SCHEMBL6245968 0.69 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL1852682 0.69 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL6665323 0.69 ALDH1A1 (0.35) NOS3NOS1NOS2

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
WO-2009137133-A2 5-SUBSTITUTED-2-IMINO-THIAZOLIDINONE COMPOUNDS AND THEIR USE AS INHIBITORS OF BACTERIAL INFECTION UNIVERSITY OF WASHINGTON (US) 2009-11-12 WO disclosed