SCHEMBL8060058

SCHEMBL8060058

C#Cc1cc(C(=O)NC(C)(CC)C(=O)CCl)cc(Cl)c1N

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HSD11B1 P28845 2/20 0.31
ANO1 Q5XXA6 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
SCHEMBL8061077 0.89 S1PR3 (0.33) HTTL3MBTL1KDM4EALDH1A1GAA
SCHEMBL7527475 0.88 HSD11B1 (0.38) HTTL3MBTL1KDM4EALDH1A1GAA
SCHEMBL8061265 0.86 GAA (0.34) HTTL3MBTL1KDM4EALDH1A1GAA
SCHEMBL8065523 0.84 KDM4E (0.35) HTTL3MBTL1KDM4EALDH1A1GAA
SCHEMBL8063589 0.82 HSD11B1 (0.34) HTTL3MBTL1KDM4EALDH1A1GAA
SCHEMBL8065625 0.81 ANO1 (0.33) KDM4EALDH1A1GAAHSD11B1ANO1
SCHEMBL8061132 0.81 KDM4E (0.32) KDM4EALDH1A1GAAHSD11B1ANO1
SCHEMBL8048655 0.80 HTT (0.33) HTTL3MBTL1ALDH1A1ANO1
SCHEMBL8063668 0.80 GAA (0.38) HTTL3MBTL1KDM4EALDH1A1GAA
SCHEMBL8061131 0.80 ANO1 (0.33) KDM4EALDH1A1GAAHSD11B1ANO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0816331-B1 Fungicidally active n-acetonylbenzamide compounds ROHM & HAAS (US) 2000-05-24 EP disclosed
US-5929098-A Fungicidically active N-acetonylbenzamide compounds ROHM AND HAAS COMPANY (US) 1999-07-27 US disclosed
EP-0816331-A1 Fungicidally active n-acetonylbenzamide compounds ROHM AND HAAS COMPANY (US) 1998-01-07 EP disclosed