SCHEMBL8535795

SCHEMBL8535795

CCc1c(N)ccc(CS)c1N

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
POLB P06746 2/20 0.31
HTT P42858 1/20 0.31
USP7 Q93009 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL29430589 0.85 POLB (0.38) NOS3NOS2POLBHTTALDH1A1
SCHEMBL459542 0.85 POLB (0.38) NOS3NOS2POLBHTTALDH1A1
SCHEMBL7060663 0.77 NOS3 (0.37) NOS3NOS2POLBHTTUSP7
SCHEMBL1334970 0.76 POLB (0.33) NOS3NOS2POLBHTTMAPT
SCHEMBL8538345 0.74 CYP3A4 (0.39) POLBALDH1A1
SCHEMBL215981 0.74 NOS3 (0.41) NOS3NOS2POLBHTTALDH1A1
SCHEMBL30117633 0.74 NOS3 (0.41) NOS3NOS2POLBHTTALDH1A1
SCHEMBL396164 0.73 POLB (0.41) NOS3NOS2POLBHTTALDH1A1
SCHEMBL1334752 0.72 HTT (0.39) NOS3NOS2POLBHTTALDH1A1
Hydrochloric Acid SCHEMBL4662390 0.71 NOS3 (0.39) NOS3NOS2POLBHTTALDH1A1

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-0591059-B1 Use of sulfur-containing metaphenylenediamines for dyeing keratinic fibers and new sulfur-containing metaphenylenediamines OREAL (FR) 1998-04-15 EP claimed