SCHEMBL28076536

SCHEMBL28076536

Nc1nccnc1CCC[SH](=O)=O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 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
SCHEMBL4717192 0.74 HRH1 (0.45)
SCHEMBL10924823 0.74 TLR8 (0.44)
SCHEMBL3195239 0.70 HRH1 (0.39) MAPKAPK2
SCHEMBL28256622 0.69 GABRA1 (0.36)
SCHEMBL28571987 0.69 NOS2 (0.48) MAPKAPK2
SCHEMBL19879542 0.67 GABRP (0.35) MAPKAPK2
SCHEMBL28076539 0.67 NOS2 (0.32) MAPKAPK2
SCHEMBL19224674 0.65 CYP1A2 (0.46)
SCHEMBL4333718 0.65
SCHEMBL28076393 0.64 MEN1 (0.34)

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