SCHEMBL11016283

SCHEMBL11016283

CC(C#N)NC(C)(C)C#N

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DPP4 P27487 1/20 0.36
TSHR P16473 1/20 0.33

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
SCHEMBL16750054 0.78
SCHEMBL2389987 0.78
SCHEMBL15170826 0.74
SCHEMBL4609332 0.64 TP53 (0.40) TP53L3MBTL1
SCHEMBL6697361 0.61
SCHEMBL16618097 0.61 TSHR (0.64) TSHR
SCHEMBL1294851 0.61
SCHEMBL3338400 0.61
SCHEMBL16750055 0.59
SCHEMBL10620287 0.59

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
US-4543215-A REACTING AN ALDEHYDE-CYANOHYDRIN WITH AN AMINONITRILE; CHEMICAL INTERMEDIATES BASF AKTIENGESELLSCHAFT (DE) 1985-09-24 US disclosed