SCHEMBL23893129

SCHEMBL23893129

CC(C)(CN)CC(=O)NI

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
CYP2D6 P10635 1/20 0.39

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
SCHEMBL19010446 0.79 KDM4E (0.54) KDM4ECYP2D6
SCHEMBL19026674 0.76 KDM4E (0.50) KDM4ECYP2D6
SCHEMBL26437421 0.76
SCHEMBL25600599 0.75
SCHEMBL19000012 0.74 KDM4E (0.48) KDM4ECYP2D6
SCHEMBL12017245 0.70
SCHEMBL704537 0.70
SCHEMBL15001267 0.70
SCHEMBL5691969 0.70 KDM4E (0.54) KDM4ECYP2D6
Hydrochloric Acid SCHEMBL3080866 0.69 KDM4E (1.00) KDM4ECYP2D6

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-3889146-A1 POLYHETEROCYCLIC TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 EP disclosed