SCHEMBL4989090

SCHEMBL4989090

O=C(O)CN(CCCN(c1ccccc1)C(Cc1ccccc1)C1=COCO1)c1nc(-n2ccnc2)ns1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.45
NOS1 P29475 17/20 0.45

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
SCHEMBL3567042 0.85 NOS2 (0.51) NOS2NOS1
SCHEMBL3565460 0.79 NOS2 (0.58) NOS2NOS1
SCHEMBL3562974 0.78 NOS2 (0.59) NOS2NOS1
SCHEMBL3558783 0.78 NOS2 (0.59) NOS2NOS1
SCHEMBL3570719 0.77 NOS2 (0.60) NOS2NOS1
SCHEMBL4989071 0.76 NOS2 (0.65) NOS2NOS1
SCHEMBL3563392 0.74 NOS2 (0.48) NOS2NOS1
SCHEMBL3570571 0.74 NOS2 (0.59) NOS2NOS1
SCHEMBL3614975 0.74 NOS2 (0.45) NOS2NOS1
SCHEMBL3557674 0.73 NOS2 (0.57) NOS2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954695-A1 NOVEL METHOD OF PREPARATION OF 5-CHLORO-3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOLE AND (3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOL-5-YL)-DIALKYL-AMINES Kalypsys, Inc. (US) 2008-08-13 EP disclosed
WO-2007062411-A1 NOVEL METHOD OF PREPARATION OF 5-CHLORO-3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOLE AND (3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOL-5-YL)-DIALKYL-AMINES KALYPSYS, INC. (US) 2007-05-31 WO disclosed