SCHEMBL7526063

SCHEMBL7526063

O=c1n(CCC=S)c(=O)n(CCC=S)c(=O)n1CCC=S

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4760704 0.74 CYP3A4 (0.38) CYP3A4NPSR1
SCHEMBL11001667 0.72 CYP3A4 (0.55) CYP3A4NPSR1
SCHEMBL17059128 0.69 GAA (0.34) CYP3A4NPSR1
SCHEMBL17059130 0.65 CYP3A4 (0.46) CYP3A4NPSR1
SCHEMBL17539235 0.63 CYP3A4 (0.44) CYP3A4NPSR1
SCHEMBL17059124 0.62 CYP3A4 (0.43) CYP3A4NPSR1
SCHEMBL35878 0.61 PDE4A (0.39) CYP3A4NPSR1
SCHEMBL331903 0.61 PDE4A (0.47) CYP3A4
SCHEMBL10896192 0.60 APEX1 (0.50) CYP3A4
SCHEMBL16047729 0.60 ADORA2B (0.42) CYP3A4NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928816-B1 Phthalocyanine compound, its intermediate, process for producing the compound, and use thereof YAMAMOTO CHEMICALS INC (JP) 2002-03-06 EP disclosed
US-6093832-A NEAR INFRARED RAY ABSORBING MATERIAL OR A LIGHT-HEAT CONVERSION MATERIAL YAMAMOTO CHEMICALS, INC. (JP) 2000-07-25 US disclosed
US-5973140-A Phthalocyanine compound, its intermediate, process for producing the compound, and use thereof YAMAMOTO CHEMICALS, INC (JP) 1999-10-26 US disclosed
EP-0928816-A2 Phthalocyanine compound, its intermediate, process for producing the compound, and use thereof Yamamoto Chemicals, Inc. (JP) 1999-07-14 EP disclosed