SCHEMBL17469193

SCHEMBL17469193

COC(=O)CN(N)C(=O)C=C(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
TSHR P16473 3/20 0.34
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 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
SCHEMBL17469192 0.81 KMT2A (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL15482781 0.78 MGAM (0.38) MGAMGAASIMGAM2TSHR
SCHEMBL15786198 0.77 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL17469188 0.74 ALDH1A1 (0.30)
SCHEMBL17468972 0.72 MGAM (0.32) MGAMGAASIMGAM2TSHR
SCHEMBL2555468 0.69 TSHR (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL17469195 0.68 ALDH1A1 (0.33)
SCHEMBL10960399 0.68
SCHEMBL17469185 0.67 PYCR1 (0.32)
SCHEMBL17469190 0.67 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