SCHEMBL9029404

SCHEMBL9029404

CCOC(=O)C#N.CCOC(=O)c1nc(C(C)C)ns1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.34
ALDH1A1 P00352 7/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 5/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CTSK P43235 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP7 P55210 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
SCHEMBL5777601 0.89 ALDH1A1 (0.40) LMNAPOLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL23795980 0.77 CYP1A2 (0.37) HTTLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL23796408 0.77 ALDH1A1 (0.39) HTTLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL9028859 0.73 MAPT (0.54) LMNAPOLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL23796111 0.72 CYP1A2 (0.33) HTTLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL22578954 0.70 CYP1A2 (0.43) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL43934 0.69
SCHEMBL12370927 0.68 EGFR (0.32)
SCHEMBL29117129 0.68 LMNA (0.43) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL29117128 0.68 LMNA (0.43) LMNAALDH1A1SMN1; SMN2KDM4EMAPT

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
EP-0726261-A1 Herbidical 1,2,4 thiadiazoles American Cyanamid Company (US) 1996-08-14 EP disclosed