SCHEMBL9872789

SCHEMBL9872789

O=C(NN1CCCC1)C(=O)NN1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
LIPE Q05469 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
NFKB1 P19838 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CNR1 P21554 1/20 0.33
CNR2 P34972 2/20 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
SCHEMBL4076065 0.84 HTT (0.39) HTTLIPEL3MBTL1LMNAPOLB
SCHEMBL2024983 0.82 HTT (0.42) HTTLIPEL3MBTL1LMNAPOLB
SCHEMBL6853292 0.80 HTT (0.37) HTTLIPEL3MBTL1LMNAPOLB
SCHEMBL8396990 0.80 HTT (0.46) HTTLIPEL3MBTL1LMNAPOLB
SCHEMBL5495808 0.79
SCHEMBL21798768 0.79 HTT (0.48) HTTLIPEL3MBTL1LMNAPOLB
SCHEMBL477228 0.79
SCHEMBL842713 0.78 HTT (0.40) HTTLIPEL3MBTL1LMNAPOLB
SCHEMBL5321367 0.78 HTT (0.40) HTTLIPEL3MBTL1LMNAPOLB
SCHEMBL34638 0.77 HTT (0.52) HTTLIPEL3MBTL1LMNAPOLB

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
US-5019611-A Tetrahydrotriazinethiones THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-05-28 US disclosed
EP-0278890-A2 Non-staining and slightly-staining antiozonants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-08-17 EP disclosed