SCHEMBL3787891

SCHEMBL3787891

NC(=S)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL27940080 0.94
SCHEMBL12495146 0.81
SCHEMBL955078 0.71 ALDH1A1 (0.38) MAPTHSD17B10
SCHEMBL10443689 0.67 ALDH1A1 (0.39) MAPTHSD17B10
SCHEMBL29097635 0.67 ALDH1A1 (0.39) MAPTHSD17B10
SCHEMBL1826261 0.67
Thiourea SCHEMBL10771868 0.65
Thiourea SCHEMBL8073928 0.65
SCHEMBL18998986 0.63
SCHEMBL497502 0.63

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
WO-2010095041-A2 COMPOSITIONS, METHODS, AND KITS FOR TREATING INFLUENZA VIRAL INFECTIONS EXCRX (SINGAPORE) PTE.LTD. (SG) 2010-08-26 WO disclosed
WO-2006119295-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES COMBINATORX, INCORPORATED (US) 2006-11-09 WO disclosed