SCHEMBL8048342

SCHEMBL8048342

CCC(C)(NC(=O)c1cc(Cl)c(N)c(C=NOC)c1)C(=O)C(F)Br

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8048339 1.00 KDM4E (0.31) KDM4EALDH1A1GAAL3MBTL1
SCHEMBL8048505 0.92 KDM4E (0.32) KDM4EALDH1A1GAAL3MBTL1
SCHEMBL8048501 0.92 KDM4E (0.32) KDM4EALDH1A1GAAL3MBTL1
SCHEMBL8060014 0.91 KDM4E (0.32) KDM4EALDH1A1GAAL3MBTL1
SCHEMBL8060018 0.91 KDM4E (0.32) KDM4EALDH1A1GAAL3MBTL1
SCHEMBL8060976 0.91 KDM4E (0.31) KDM4EALDH1A1GAAL3MBTL1
SCHEMBL8060972 0.91 KDM4E (0.31) KDM4EALDH1A1GAAL3MBTL1
SCHEMBL8060059 0.86 KDM4E (0.33) KDM4EALDH1A1GAAL3MBTL1
SCHEMBL8060057 0.86 KDM4E (0.33) KDM4EALDH1A1GAAL3MBTL1
SCHEMBL8063628 0.85 KDM4E (0.33) KDM4EALDH1A1GAAL3MBTL1

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