SCHEMBL17469195

SCHEMBL17469195

C=CCN(N)C(=O)C=C(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL17468872 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL30613327 0.78 ALDH1A1 (0.45) ALDH1A1
SCHEMBL17469188 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL11555341 0.78
SCHEMBL433690 0.78
SCHEMBL1071929 0.72 TDP1 (0.35) ALDH1A1
SCHEMBL4243340 0.70
SCHEMBL2789418 0.70
SCHEMBL17469185 0.69 PYCR1 (0.32)
SCHEMBL17469190 0.69 DPP4 (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
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