SCHEMBL13152607

SCHEMBL13152607

CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(N)c2ccc(OCCF)cc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 2/20 0.39
PRMT6 Q96LA8 4/20 0.39
MAP2K4 P45985 2/20 0.36
KIT P10721 2/20 0.35
BRPF1 P55201 1/20 0.35
PRMT1 Q99873 1/20 0.35
PRMT8 Q9NR22 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
ADRB3 P13945 1/20 0.34
ADRA1A P35348 1/20 0.34
ALDH2 P05091 1/20 0.33
CTPS1 P17812 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 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
SCHEMBL10249405 0.88 NPC1 (0.42) GRIK1GRIK2
SCHEMBL13152186 0.88 KDM4E (0.43) SGK1PRMT6MAP2K4BRPF1PRMT1
SCHEMBL10252757 0.88 PLK4 (0.37) SGK1KITBRPF1GRIK1GRIK2
SCHEMBL10095725 0.87 PRMT6 (0.35) SGK1PRMT6MAP2K4KITPRMT1
SCHEMBL13152661 0.86 SGK1 (0.40) SGK1PRMT6MAP2K4KITBRPF1
SCHEMBL13151739 0.86 IDH1 (0.41) SGK1PRMT6MAP2K4KITBRPF1
SCHEMBL13152372 0.86 SGK1 (0.43) SGK1PRMT6MAP2K4KITBRPF1
SCHEMBL10097640 0.86 KIT (0.43) KIT
SCHEMBL10249318 0.85 PLK4 (0.40) SGK1KITADRB3ADRA1AGRIK1
SCHEMBL13151765 0.85 BRD4 (0.35) BRPF1ADRB3ADRA1AGRIK1GRIK2

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-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed