SCHEMBL9871076

SCHEMBL9871076

CCN(CC)c1ccc(N(C)C(=S)OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
ALDH1A1 P00352 10/20 0.47
GAA P10253 4/20 0.47
MAPK1 P28482 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HTT P42858 2/20 0.47
THRB P10828 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.44
TSHR P16473 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
PSMD14 O00487 1/20 0.44
CYP3A4 P08684 1/20 0.44
RECQL P46063 1/20 0.44
GFER P55789 1/20 0.44
ALDH3A1 P30838 1/20 0.41
ALDH1A3 P47895 1/20 0.41
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
NOX1 Q9Y5S8 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL9871105 0.80 ALDH1A1 (0.50) MAPTALDH1A1GAAMAPK1KDM4E
SCHEMBL9871630 0.80 ALDH1A1 (0.50) MAPTALDH1A1GAAMAPK1KDM4E
SCHEMBL9871903 0.79 ALDH1A1 (0.52) MAPTALDH1A1GAAMAPK1KDM4E
SCHEMBL25137411 0.76 LMNA (0.59) MAPTALDH1A1GAAMAPK1HTT
SCHEMBL9872614 0.76 FAAH (0.46) MAPTALDH1A1GAAMAPK1KDM4E
SCHEMBL1735497 0.72 ALDH1A1 (0.74) MAPTALDH1A1GAAMAPK1KDM4E
SCHEMBL9872327 0.71 MAPT (0.48) MAPTALDH1A1GAAMAPK1HTT
SCHEMBL9871294 0.71 RAB9A (0.52) MAPTALDH1A1GAAMAPK1KDM4E
SCHEMBL8772730 0.71 MAPT (0.65) MAPTALDH1A1GAAMAPK1KDM4E
SCHEMBL611209 0.70 ALDH1A1 (0.52) MAPTALDH1A1GAAMAPK1KDM4E

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