SCHEMBL27428440

SCHEMBL27428440

CC(C)(C)OC(=O)C1CNC1CN

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAN1B1 Q9UKM7 1/20 0.36
MAPK1 P28482 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
SCHEMBL27480191 0.71 MAPK1 (0.33) MAPK1
SCHEMBL27821931 0.71 HRH3 (0.33) MAPK1
SCHEMBL12892156 0.70 GABRR1 (0.34) MAPK1
SCHEMBL12877873 0.70 GABRR1 (0.34) MAPK1
SCHEMBL5755941 0.70 MAPK1 (0.32) MAPK1
SCHEMBL27600115 0.70 ARG1 (0.34)
SCHEMBL1298054 0.70 MAPK1 (0.41) MAPK1
SCHEMBL3148606 0.70 MAPK1 (0.41) MAPK1
SCHEMBL8223269 0.68 MAPK1 (0.33) MAPK1
SCHEMBL8436600 0.68 CHRNB2 (0.32)

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-1111629-A 5-vinyl-, 5-ethynylquinolone-and 5-vinyl-, 5-ethynylnaphthyridonecarboxylic acids BAYER AG (DE) 1995-11-15 CN disclosed