SCHEMBL28076539

SCHEMBL28076539

CS(=O)(=O)CCc1nccnc1N

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.32
MAPKAPK2 P49137 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL28571987 0.74 NOS2 (0.48) NOS2MAPKAPK2
SCHEMBL3195239 0.72 HRH1 (0.39) NOS2MAPKAPK2
SCHEMBL10924823 0.71 TLR8 (0.44) NOS2
SCHEMBL28173007 0.71 KDM1A (0.38)
SCHEMBL6753235 0.69 TLR7 (0.46) NOS2
SCHEMBL28076490 0.69 TLR7 (0.41) NOS2MAPKAPK2
SCHEMBL13412472 0.69 NUDT1 (0.49) NOS2MAPKAPK2
SCHEMBL30154935 0.69
SCHEMBL8055376 0.69
SCHEMBL15740547 0.68 DHFR (0.46)

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
CN-105658646-A Aminoheteroaryl benzamides as kinase inhibitors 诺华股份有限公司 2016-06-08 CN disclosed