SCHEMBL17469190

SCHEMBL17469190

CC(C)=CC(=O)N(N)CC#N

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.34
ZDHHC20 Q5W0Z9 2/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
CYP1A2 P05177 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
SCHEMBL17469185 0.80 PYCR1 (0.32)
SCHEMBL17469188 0.76 ALDH1A1 (0.30)
SCHEMBL17469195 0.69 ALDH1A1 (0.33)
SCHEMBL17469193 0.67 MGAM (0.37)
SCHEMBL17468870 0.64
SCHEMBL17469192 0.64 KMT2A (0.46)
SCHEMBL17468878 0.63
Phorone SCHEMBL28320285 0.63 MCL1 (0.31)
SCHEMBL7427579 0.62 CYP1A2 (0.41) DPP4CYP1A2
SCHEMBL14519666 0.61 CHRM1 (0.52) DPP4ZDHHC20ZDHHC2CYP1A2

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
WO-2016012362-A1 SUBSTITUTED CYANO CYCLOALKYL PENTA-2,4-DIENES, CYANO CYCLOALKYL PENT-2-EN-4-YNES, CYANO HETEROCYCLYL PENTA-2,4-DIENES AND CYANO HETEROCYCLYL PENT-2-EN-4-YNES AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-01-28 WO disclosed