SCHEMBL9684765

SCHEMBL9684765

CSCCCCNC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRA1A P35348 1/20 0.38
FOLH1 Q04609 2/20 0.37
EPHX1 P07099 5/20 0.37
PRMT1 Q99873 1/20 0.35
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
PGGT1B P53609 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RNPEP Q9H4A4 1/20 0.34
PAOX Q6QHF9 1/20 0.34

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
SCHEMBL3502512 0.93
SCHEMBL29902944 0.83 ALDH1A1 (0.65) ALDH1A1MAPK1FOLH1CYP2D6CYP2C19
SCHEMBL2344568 0.83
SCHEMBL23640298 0.82 ALDH1A1 (0.71) ALDH1A1KDM4EMAPK1HIF1AMEN1
SCHEMBL3174690 0.80 KDM4E (0.50) ALDH1A1KDM4EMAPK1HIF1AMEN1
SCHEMBL23378216 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EMAPK1HIF1AMEN1
SCHEMBL2029681 0.77 KDM4E (0.55) ALDH1A1KDM4EMAPK1HIF1AMEN1
SCHEMBL5569558 0.77 KDM4E (0.55) ALDH1A1KDM4EMAPK1HIF1AMEN1
SCHEMBL20836564 0.77 KDM4E (0.55) ALDH1A1KDM4EMAPK1HIF1AMEN1
SCHEMBL15871737 0.77 KDM4E (0.55) ALDH1A1KDM4EMAPK1HIF1AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0509795-A2 Carbamates of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1992-10-21 EP disclosed
US-5118678-A Antibody inhibitors, antiinflammatory agents, fungicides, antitumor agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-02 US disclosed